| Literature DB >> 21200805 |
Tatiana R Amarante, Ana C Coelho, Jacek Klinowski, Isabel S Gonçalves, Filipe A Almeida Paz.
Abstract
In the crystal structure of the title compound, C(30)H(26)O(2)Si(2), one Si(Ph)(3) residue is bound to another Si(OH)(Ph)(2) residue via a nonlinear Si-O-Si bridge. The asymmetric unit is composed of four [Si(2)O(OH)(Ph)(5)] molecules. Each pair of adjacent molecules inter-acts via strong and highly directional O-H⋯O hydrogen bonds connecting neighbouring Si-OH units, and via inter-unit O-H⋯π contacts connecting the second hydroxyl groups with adjacent phenyl groups.Entities:
Year: 2007 PMID: 21200805 PMCID: PMC2915298 DOI: 10.1107/S1600536807064987
Source DB: PubMed Journal: Acta Crystallogr Sect E Struct Rep Online ISSN: 1600-5368
| C30H26O2Si2 | |
| Triclinic, | |
| Hall symbol: -P 1 | Mo |
| Cell parameters from 8707 reflections | |
| θ = 2.4–22.4° | |
| µ = 0.16 mm−1 | |
| α = 65.270 (3)° | |
| β = 71.217 (4)° | Prism, colourless |
| γ = 87.173 (4)° | 0.30 × 0.22 × 0.12 mm |
| Bruker X8 Kappa CCD APEXII diffractometer | 17802 independent reflections |
| Radiation source: fine-focus sealed tube | 8243 reflections with |
| graphite | |
| ω/φ scans | θmax = 25.4°, θmin = 3.5° |
| Absorption correction: multi-scan ( | |
| 96391 measured reflections |
| Refinement on | Primary atom site location: structure-invariant direct methods |
| Least-squares matrix: full | Secondary atom site location: difference Fourier map |
| Hydrogen site location: inferred from neighbouring sites | |
| H-atom parameters constrained | |
| 17802 reflections | (Δ/σ)max = 0.003 |
| 1229 parameters | Δρmax = 0.56 e Å−3 |
| 0 restraints | Δρmin = −0.45 e Å−3 |
| Experimental. See dedicated section in the main paper |
| Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.'s are taken into account individually in the estimation of e.s.d.'s in distances, angles and torsion angles; correlations between e.s.d.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s. planes. |
| Refinement. Refinement of |
| Si1 | 0.39433 (9) | 0.28703 (8) | 0.47224 (8) | 0.0318 (4) | |
| Si2 | 0.17139 (9) | 0.30287 (8) | 0.52914 (8) | 0.0326 (4) | |
| O2 | 0.4251 (2) | 0.2349 (2) | 0.54784 (19) | 0.0413 (10) | |
| H2 | 0.4691 | 0.2105 | 0.5349 | 0.062* | |
| O1 | 0.2822 (2) | 0.28788 (19) | 0.50744 (19) | 0.0419 (10) | |
| C19 | 0.4559 (3) | 0.3818 (3) | 0.4276 (3) | 0.0329 (13) | |
| C20 | 0.5076 (4) | 0.4029 (3) | 0.4637 (3) | 0.0420 (14) | |
| H20 | 0.5103 | 0.3684 | 0.5125 | 0.050* | |
| C21 | 0.5547 (4) | 0.4732 (4) | 0.4296 (4) | 0.0517 (16) | |
| H21 | 0.5889 | 0.4862 | 0.4555 | 0.062* | |
| C22 | 0.5527 (4) | 0.5237 (4) | 0.3596 (4) | 0.0551 (18) | |
| H22 | 0.5863 | 0.5713 | 0.3364 | 0.066* | |
| C23 | 0.5022 (5) | 0.5059 (4) | 0.3225 (4) | 0.0595 (19) | |
| H23 | 0.4995 | 0.5415 | 0.2741 | 0.071* | |
| C24 | 0.4547 (4) | 0.4353 (3) | 0.3559 (3) | 0.0506 (16) | |
| H24 | 0.4207 | 0.4234 | 0.3293 | 0.061* | |
| C25 | 0.4188 (3) | 0.2455 (3) | 0.4021 (3) | 0.0391 (14) | |
| C26 | 0.4959 (4) | 0.2714 (3) | 0.3332 (3) | 0.0529 (16) | |
| H26 | 0.5379 | 0.3120 | 0.3212 | 0.063* | |
| C27 | 0.5125 (5) | 0.2385 (4) | 0.2814 (4) | 0.0619 (19) | |
| H27 | 0.5651 | 0.2569 | 0.2348 | 0.074* | |
| C28 | 0.4525 (5) | 0.1800 (4) | 0.2984 (4) | 0.068 (2) | |
| H28 | 0.4632 | 0.1578 | 0.2633 | 0.082* | |
| C29 | 0.3777 (5) | 0.1534 (4) | 0.3649 (4) | 0.0649 (19) | |
| H29 | 0.3374 | 0.1116 | 0.3775 | 0.078* | |
| C30 | 0.3603 (4) | 0.1874 (4) | 0.4145 (3) | 0.0529 (16) | |
| H30 | 0.3054 | 0.1698 | 0.4593 | 0.064* | |
| C1 | 0.0977 (3) | 0.2129 (3) | 0.5701 (3) | 0.0320 (13) | |
| C2 | 0.0202 (4) | 0.2062 (3) | 0.5481 (3) | 0.0483 (16) | |
| H2A | 0.0049 | 0.2485 | 0.5103 | 0.058* | |
| C3 | −0.0346 (4) | 0.1397 (4) | 0.5801 (4) | 0.0532 (17) | |
| H3 | −0.0859 | 0.1363 | 0.5634 | 0.064* | |
| C4 | −0.0148 (4) | 0.0791 (3) | 0.6355 (3) | 0.0495 (16) | |
| H4 | −0.0532 | 0.0336 | 0.6588 | 0.059* | |
| C5 | 0.0602 (4) | 0.0842 (3) | 0.6574 (4) | 0.062 (2) | |
| H5 | 0.0749 | 0.0415 | 0.6951 | 0.075* | |
| C6 | 0.1154 (4) | 0.1500 (3) | 0.6263 (3) | 0.0509 (17) | |
| H6 | 0.1664 | 0.1522 | 0.6437 | 0.061* | |
| C7 | 0.1419 (4) | 0.3688 (3) | 0.4433 (3) | 0.0447 (15) | |
| C8 | 0.1661 (4) | 0.3559 (4) | 0.3769 (3) | 0.0603 (18) | |
| H8 | 0.2024 | 0.3163 | 0.3740 | 0.072* | |
| C9 | 0.1361 (5) | 0.4022 (4) | 0.3136 (4) | 0.074 (2) | |
| H9 | 0.1531 | 0.3947 | 0.2678 | 0.088* | |
| C10 | 0.0810 (5) | 0.4589 (4) | 0.3203 (4) | 0.075 (2) | |
| H10 | 0.0600 | 0.4898 | 0.2787 | 0.090* | |
| C11 | 0.0566 (5) | 0.4711 (4) | 0.3860 (4) | 0.068 (2) | |
| H11 | 0.0202 | 0.5105 | 0.3892 | 0.082* | |
| C12 | 0.0854 (4) | 0.4258 (3) | 0.4468 (3) | 0.0527 (17) | |
| H12 | 0.0663 | 0.4333 | 0.4927 | 0.063* | |
| C13 | 0.1444 (4) | 0.3414 (3) | 0.6026 (3) | 0.0382 (14) | |
| C14 | 0.0558 (4) | 0.3252 (3) | 0.6613 (3) | 0.0479 (16) | |
| H14 | 0.0094 | 0.2916 | 0.6655 | 0.057* | |
| C15 | 0.0346 (4) | 0.3568 (4) | 0.7130 (3) | 0.0562 (18) | |
| H15 | −0.0262 | 0.3456 | 0.7514 | 0.067* | |
| C16 | 0.1008 (5) | 0.4044 (3) | 0.7096 (4) | 0.0553 (17) | |
| H16 | 0.0864 | 0.4259 | 0.7454 | 0.066* | |
| C17 | 0.1884 (4) | 0.4205 (3) | 0.6532 (4) | 0.0514 (16) | |
| H17 | 0.2346 | 0.4537 | 0.6498 | 0.062* | |
| C18 | 0.2099 (4) | 0.3884 (3) | 0.6013 (3) | 0.0407 (14) | |
| H18 | 0.2714 | 0.3991 | 0.5639 | 0.049* | |
| Si3 | 0.10190 (9) | 0.72672 (8) | 0.00913 (8) | 0.0274 (4) | |
| Si4 | 0.32006 (9) | 0.69827 (8) | −0.02096 (8) | 0.0272 (4) | |
| O4 | 0.0753 (2) | 0.77425 (19) | −0.07009 (18) | 0.0372 (9) | |
| H4A | 0.0448 | 0.8093 | −0.0656 | 0.056* | |
| O3 | 0.2148 (2) | 0.72493 (18) | −0.01884 (18) | 0.0353 (9) | |
| C49 | 0.0418 (3) | 0.6318 (3) | 0.0516 (3) | 0.0295 (12) | |
| C50 | 0.0627 (4) | 0.5732 (3) | 0.1106 (3) | 0.0466 (15) | |
| H50 | 0.1078 | 0.5820 | 0.1307 | 0.056* | |
| C51 | 0.0192 (4) | 0.5019 (3) | 0.1410 (4) | 0.0551 (17) | |
| H51 | 0.0359 | 0.4628 | 0.1808 | 0.066* | |
| C52 | −0.0466 (4) | 0.4876 (3) | 0.1147 (3) | 0.0431 (15) | |
| H52 | −0.0772 | 0.4391 | 0.1368 | 0.052* | |
| C53 | −0.0690 (4) | 0.5435 (3) | 0.0559 (3) | 0.0437 (15) | |
| H53 | −0.1146 | 0.5338 | 0.0367 | 0.052* | |
| C54 | −0.0244 (3) | 0.6150 (3) | 0.0243 (3) | 0.0378 (14) | |
| H54 | −0.0396 | 0.6533 | −0.0169 | 0.045* | |
| C55 | 0.0671 (4) | 0.7755 (3) | 0.0726 (3) | 0.0361 (13) | |
| C56 | −0.0278 (4) | 0.7820 (3) | 0.1058 (3) | 0.0539 (17) | |
| H56 | −0.0742 | 0.7595 | 0.0967 | 0.065* | |
| C57 | −0.0569 (6) | 0.8197 (4) | 0.1514 (4) | 0.071 (2) | |
| H57 | −0.1223 | 0.8230 | 0.1736 | 0.085* | |
| C58 | 0.0105 (7) | 0.8530 (4) | 0.1643 (4) | 0.088 (3) | |
| H58 | −0.0083 | 0.8787 | 0.1961 | 0.106* | |
| C59 | 0.1047 (6) | 0.8486 (5) | 0.1310 (4) | 0.096 (3) | |
| H59 | 0.1511 | 0.8711 | 0.1400 | 0.115* | |
| C60 | 0.1320 (5) | 0.8115 (4) | 0.0844 (4) | 0.070 (2) | |
| H60 | 0.1974 | 0.8109 | 0.0598 | 0.084* | |
| C31 | 0.4043 (3) | 0.7838 (3) | −0.0753 (3) | 0.0311 (13) | |
| C32 | 0.3773 (4) | 0.8529 (3) | −0.1120 (3) | 0.0436 (15) | |
| H32 | 0.3144 | 0.8569 | −0.1132 | 0.052* | |
| C33 | 0.4385 (4) | 0.9165 (3) | −0.1470 (3) | 0.0532 (17) | |
| H33 | 0.4178 | 0.9632 | −0.1723 | 0.064* | |
| C34 | 0.5300 (4) | 0.9123 (3) | −0.1453 (3) | 0.0521 (17) | |
| H34 | 0.5718 | 0.9560 | −0.1680 | 0.062* | |
| C35 | 0.5596 (4) | 0.8441 (4) | −0.1104 (4) | 0.063 (2) | |
| H35 | 0.6230 | 0.8405 | −0.1105 | 0.075* | |
| C36 | 0.4981 (4) | 0.7808 (3) | −0.0752 (4) | 0.0579 (19) | |
| H36 | 0.5195 | 0.7343 | −0.0505 | 0.070* | |
| C37 | 0.3436 (3) | 0.6322 (3) | −0.0666 (3) | 0.0337 (13) | |
| C38 | 0.4224 (4) | 0.5922 (3) | −0.0663 (4) | 0.0532 (16) | |
| H38 | 0.4625 | 0.5972 | −0.0403 | 0.064* | |
| C39 | 0.4440 (4) | 0.5446 (4) | −0.1034 (4) | 0.0636 (19) | |
| H39 | 0.4990 | 0.5189 | −0.1037 | 0.076* | |
| C40 | 0.3843 (4) | 0.5355 (4) | −0.1396 (4) | 0.0598 (18) | |
| H40 | 0.3980 | 0.5041 | −0.1654 | 0.072* | |
| C41 | 0.3058 (4) | 0.5724 (3) | −0.1374 (3) | 0.0466 (15) | |
| H41 | 0.2643 | 0.5657 | −0.1617 | 0.056* | |
| C42 | 0.2841 (4) | 0.6192 (3) | −0.1014 (3) | 0.0372 (14) | |
| H42 | 0.2276 | 0.6430 | −0.1002 | 0.045* | |
| C43 | 0.3256 (3) | 0.6524 (3) | 0.0794 (3) | 0.0378 (14) | |
| C44 | 0.3382 (5) | 0.6943 (5) | 0.1155 (4) | 0.080 (2) | |
| H44 | 0.3482 | 0.7467 | 0.0880 | 0.097* | |
| C45 | 0.3365 (6) | 0.6608 (7) | 0.1920 (5) | 0.112 (3) | |
| H45 | 0.3440 | 0.6907 | 0.2166 | 0.135* | |
| C46 | 0.3241 (6) | 0.5852 (7) | 0.2322 (5) | 0.095 (3) | |
| H46 | 0.3216 | 0.5627 | 0.2847 | 0.114* | |
| C47 | 0.3155 (6) | 0.5438 (5) | 0.1971 (4) | 0.092 (3) | |
| H47 | 0.3102 | 0.4914 | 0.2236 | 0.111* | |
| C48 | 0.3144 (5) | 0.5770 (4) | 0.1216 (4) | 0.068 (2) | |
| H48 | 0.3054 | 0.5463 | 0.0984 | 0.082* | |
| Si5 | 0.39510 (9) | 0.22194 (8) | 0.75524 (8) | 0.0318 (4) | |
| Si6 | 0.60817 (9) | 0.19073 (8) | 0.70887 (8) | 0.0326 (4) | |
| O6 | 0.3913 (3) | 0.2745 (2) | 0.67015 (19) | 0.0435 (10) | |
| H6A | 0.3880 | 0.2483 | 0.6473 | 0.065* | |
| O5 | 0.5025 (2) | 0.2045 (2) | 0.75410 (19) | 0.0412 (10) | |
| C79 | 0.3205 (3) | 0.1320 (3) | 0.7994 (3) | 0.0337 (13) | |
| C80 | 0.2858 (4) | 0.1057 (4) | 0.7573 (3) | 0.0519 (17) | |
| H80 | 0.3013 | 0.1343 | 0.7031 | 0.062* | |
| C81 | 0.2295 (4) | 0.0394 (4) | 0.7919 (4) | 0.0602 (18) | |
| H81 | 0.2068 | 0.0234 | 0.7616 | 0.072* | |
| C82 | 0.2064 (4) | −0.0033 (3) | 0.8702 (4) | 0.0523 (17) | |
| H82 | 0.1667 | −0.0484 | 0.8944 | 0.063* | |
| C83 | 0.2413 (4) | 0.0200 (3) | 0.9129 (3) | 0.0512 (16) | |
| H83 | 0.2270 | −0.0096 | 0.9669 | 0.061* | |
| C84 | 0.2973 (4) | 0.0864 (3) | 0.8774 (3) | 0.0455 (15) | |
| H84 | 0.3208 | 0.1013 | 0.9081 | 0.055* | |
| C85 | 0.3551 (3) | 0.2752 (3) | 0.8141 (3) | 0.0315 (13) | |
| C86 | 0.4014 (4) | 0.2800 (4) | 0.8621 (3) | 0.0558 (17) | |
| H86 | 0.4566 | 0.2552 | 0.8651 | 0.067* | |
| C87 | 0.3686 (5) | 0.3203 (4) | 0.9057 (4) | 0.0641 (19) | |
| H87 | 0.4012 | 0.3223 | 0.9382 | 0.077* | |
| C88 | 0.2898 (4) | 0.3569 (3) | 0.9019 (3) | 0.0538 (17) | |
| H88 | 0.2675 | 0.3843 | 0.9318 | 0.065* | |
| C89 | 0.2435 (4) | 0.3540 (3) | 0.8552 (3) | 0.0516 (17) | |
| H89 | 0.1893 | 0.3801 | 0.8519 | 0.062* | |
| C90 | 0.2745 (4) | 0.3130 (3) | 0.8117 (3) | 0.0401 (14) | |
| H90 | 0.2404 | 0.3108 | 0.7802 | 0.048* | |
| C61 | 0.6837 (3) | 0.2802 (3) | 0.6537 (3) | 0.0361 (13) | |
| C62 | 0.7812 (4) | 0.2860 (4) | 0.6360 (4) | 0.0569 (18) | |
| H62 | 0.8115 | 0.2427 | 0.6556 | 0.068* | |
| C63 | 0.8351 (5) | 0.3535 (4) | 0.5902 (4) | 0.077 (2) | |
| H63 | 0.9018 | 0.3555 | 0.5788 | 0.092* | |
| C64 | 0.7950 (5) | 0.4176 (4) | 0.5610 (4) | 0.069 (2) | |
| H64 | 0.8328 | 0.4636 | 0.5295 | 0.083* | |
| C65 | 0.6986 (5) | 0.4137 (4) | 0.5783 (4) | 0.0588 (18) | |
| H65 | 0.6693 | 0.4577 | 0.5590 | 0.071* | |
| C66 | 0.6438 (4) | 0.3472 (3) | 0.6231 (3) | 0.0422 (14) | |
| H66 | 0.5773 | 0.3461 | 0.6339 | 0.051* | |
| C67 | 0.6033 (3) | 0.1545 (3) | 0.6384 (3) | 0.0295 (12) | |
| C68 | 0.6517 (4) | 0.1908 (3) | 0.5588 (3) | 0.0465 (15) | |
| H68 | 0.6905 | 0.2355 | 0.5393 | 0.056* | |
| C69 | 0.6450 (4) | 0.1638 (4) | 0.5074 (4) | 0.0585 (18) | |
| H69 | 0.6782 | 0.1903 | 0.4536 | 0.070* | |
| C70 | 0.5910 (4) | 0.0994 (4) | 0.5339 (4) | 0.0547 (17) | |
| H70 | 0.5872 | 0.0805 | 0.4986 | 0.066* | |
| C71 | 0.5417 (4) | 0.0613 (3) | 0.6119 (4) | 0.0499 (16) | |
| H71 | 0.5036 | 0.0165 | 0.6304 | 0.060* | |
| C72 | 0.5480 (3) | 0.0888 (3) | 0.6630 (3) | 0.0398 (15) | |
| H72 | 0.5137 | 0.0622 | 0.7166 | 0.048* | |
| C73 | 0.6498 (3) | 0.1209 (3) | 0.7858 (3) | 0.0327 (13) | |
| C74 | 0.7274 (4) | 0.0825 (3) | 0.7694 (3) | 0.0399 (14) | |
| H74 | 0.7623 | 0.0933 | 0.7169 | 0.048* | |
| C75 | 0.7550 (4) | 0.0288 (3) | 0.8275 (4) | 0.0501 (16) | |
| H75 | 0.8095 | 0.0046 | 0.8144 | 0.060* | |
| C76 | 0.7051 (4) | 0.0104 (3) | 0.9032 (4) | 0.0540 (17) | |
| H76 | 0.7230 | −0.0279 | 0.9428 | 0.065* | |
| C77 | 0.6286 (4) | 0.0474 (4) | 0.9224 (3) | 0.0618 (19) | |
| H77 | 0.5949 | 0.0357 | 0.9752 | 0.074* | |
| C78 | 0.6005 (4) | 0.1019 (3) | 0.8645 (3) | 0.0516 (17) | |
| H78 | 0.5470 | 0.1267 | 0.8784 | 0.062* | |
| Si7 | −0.10524 (9) | 0.23241 (8) | 0.26420 (7) | 0.0275 (4) | |
| Si8 | 0.10227 (9) | 0.19132 (8) | 0.23385 (8) | 0.0299 (4) | |
| O8 | −0.0967 (2) | 0.28293 (19) | 0.17544 (18) | 0.0388 (9) | |
| H8A | −0.0986 | 0.2556 | 0.1536 | 0.058* | |
| O7 | −0.0038 (2) | 0.20801 (19) | 0.27514 (19) | 0.0361 (9) | |
| C109 | −0.1486 (3) | 0.2906 (3) | 0.3164 (3) | 0.0297 (13) | |
| C110 | −0.1053 (4) | 0.3012 (4) | 0.3632 (3) | 0.0522 (16) | |
| H110 | −0.0496 | 0.2780 | 0.3684 | 0.063* | |
| C111 | −0.1414 (5) | 0.3449 (4) | 0.4029 (4) | 0.0674 (19) | |
| H111 | −0.1098 | 0.3518 | 0.4338 | 0.081* | |
| C112 | −0.2219 (4) | 0.3774 (3) | 0.3969 (3) | 0.0548 (17) | |
| H112 | −0.2476 | 0.4058 | 0.4252 | 0.066* | |
| C113 | −0.2662 (4) | 0.3696 (3) | 0.3507 (3) | 0.0565 (18) | |
| H113 | −0.3212 | 0.3938 | 0.3453 | 0.068* | |
| C114 | −0.2301 (4) | 0.3256 (3) | 0.3112 (3) | 0.0469 (16) | |
| H114 | −0.2621 | 0.3196 | 0.2801 | 0.056* | |
| C115 | −0.1853 (3) | 0.1465 (3) | 0.3054 (3) | 0.0303 (12) | |
| C116 | −0.2596 (4) | 0.1439 (4) | 0.2796 (4) | 0.075 (2) | |
| H116 | −0.2686 | 0.1866 | 0.2385 | 0.090* | |
| C117 | −0.3203 (5) | 0.0811 (4) | 0.3120 (5) | 0.092 (3) | |
| H117 | −0.3702 | 0.0808 | 0.2927 | 0.110* | |
| C118 | −0.3098 (4) | 0.0181 (3) | 0.3724 (3) | 0.0527 (17) | |
| H118 | −0.3522 | −0.0253 | 0.3948 | 0.063* | |
| C119 | −0.2387 (4) | 0.0193 (3) | 0.3990 (3) | 0.0482 (16) | |
| H119 | −0.2305 | −0.0234 | 0.4405 | 0.058* | |
| C120 | −0.1776 (4) | 0.0827 (3) | 0.3658 (3) | 0.0458 (16) | |
| H120 | −0.1280 | 0.0824 | 0.3855 | 0.055* | |
| C91 | 0.1854 (3) | 0.2766 (3) | 0.1860 (3) | 0.0363 (14) | |
| C92 | 0.2685 (4) | 0.2761 (3) | 0.2036 (4) | 0.0566 (18) | |
| H92 | 0.2798 | 0.2328 | 0.2428 | 0.068* | |
| C93 | 0.3339 (4) | 0.3369 (4) | 0.1653 (4) | 0.070 (2) | |
| H93 | 0.3893 | 0.3361 | 0.1785 | 0.084* | |
| C94 | 0.3179 (4) | 0.4000 (4) | 0.1065 (4) | 0.062 (2) | |
| H94 | 0.3652 | 0.4408 | 0.0766 | 0.075* | |
| C95 | 0.2345 (5) | 0.4033 (3) | 0.0916 (3) | 0.0529 (17) | |
| H95 | 0.2221 | 0.4474 | 0.0540 | 0.064* | |
| C96 | 0.1686 (4) | 0.3422 (3) | 0.1319 (3) | 0.0380 (14) | |
| H96 | 0.1103 | 0.3451 | 0.1223 | 0.046* | |
| C97 | 0.1013 (3) | 0.1585 (3) | 0.1601 (3) | 0.0274 (12) | |
| C98 | 0.0364 (3) | 0.1004 (3) | 0.1796 (3) | 0.0310 (13) | |
| H98 | −0.0079 | 0.0790 | 0.2306 | 0.037* | |
| C99 | 0.0336 (4) | 0.0725 (3) | 0.1275 (3) | 0.0364 (14) | |
| H99 | −0.0115 | 0.0326 | 0.1431 | 0.044* | |
| C100 | 0.0972 (4) | 0.1034 (3) | 0.0529 (3) | 0.0425 (15) | |
| H100 | 0.0966 | 0.0849 | 0.0167 | 0.051* | |
| C101 | 0.1616 (4) | 0.1617 (3) | 0.0319 (3) | 0.0424 (15) | |
| H101 | 0.2050 | 0.1837 | −0.0195 | 0.051* | |
| C102 | 0.1639 (4) | 0.1884 (3) | 0.0843 (3) | 0.0386 (14) | |
| H102 | 0.2095 | 0.2282 | 0.0684 | 0.046* | |
| C103 | 0.1380 (3) | 0.1166 (3) | 0.3122 (3) | 0.0322 (13) | |
| C104 | 0.2090 (3) | 0.0730 (3) | 0.2937 (3) | 0.0348 (13) | |
| H104 | 0.2396 | 0.0820 | 0.2411 | 0.042* | |
| C105 | 0.2353 (4) | 0.0168 (3) | 0.3513 (3) | 0.0411 (14) | |
| H105 | 0.2853 | −0.0111 | 0.3379 | 0.049* | |
| C106 | 0.1891 (4) | 0.0014 (3) | 0.4280 (4) | 0.0473 (16) | |
| H106 | 0.2056 | −0.0383 | 0.4675 | 0.057* | |
| C107 | 0.1195 (4) | 0.0434 (4) | 0.4474 (3) | 0.0555 (18) | |
| H107 | 0.0886 | 0.0336 | 0.5002 | 0.067* | |
| C108 | 0.0940 (4) | 0.1001 (3) | 0.3901 (3) | 0.0416 (15) | |
| H108 | 0.0453 | 0.1286 | 0.4043 | 0.050* |
| Si1 | 0.0271 (8) | 0.0377 (9) | 0.0358 (8) | 0.0028 (6) | −0.0058 (6) | −0.0239 (7) |
| Si2 | 0.0295 (8) | 0.0308 (9) | 0.0385 (8) | 0.0042 (6) | −0.0121 (6) | −0.0152 (7) |
| O2 | 0.042 (2) | 0.044 (2) | 0.043 (2) | 0.0095 (17) | −0.0107 (17) | −0.0260 (19) |
| O1 | 0.027 (2) | 0.047 (2) | 0.049 (2) | 0.0049 (17) | −0.0065 (16) | −0.0224 (19) |
| C19 | 0.025 (3) | 0.039 (3) | 0.041 (3) | 0.007 (2) | −0.005 (2) | −0.027 (3) |
| C20 | 0.038 (3) | 0.046 (4) | 0.042 (3) | −0.003 (3) | 0.002 (3) | −0.029 (3) |
| C21 | 0.038 (3) | 0.060 (5) | 0.065 (4) | −0.006 (3) | 0.000 (3) | −0.046 (4) |
| C22 | 0.044 (4) | 0.040 (4) | 0.077 (5) | −0.002 (3) | 0.008 (3) | −0.040 (4) |
| C23 | 0.068 (4) | 0.035 (4) | 0.060 (4) | 0.007 (3) | −0.005 (4) | −0.018 (4) |
| C24 | 0.059 (4) | 0.049 (4) | 0.060 (4) | 0.018 (3) | −0.028 (3) | −0.034 (4) |
| C25 | 0.034 (3) | 0.038 (4) | 0.045 (3) | −0.004 (3) | −0.004 (3) | −0.024 (3) |
| C26 | 0.056 (4) | 0.051 (4) | 0.059 (4) | 0.001 (3) | −0.009 (3) | −0.037 (3) |
| C27 | 0.062 (4) | 0.071 (5) | 0.053 (4) | 0.012 (4) | −0.001 (3) | −0.041 (4) |
| C28 | 0.076 (5) | 0.079 (5) | 0.079 (5) | 0.004 (4) | −0.019 (4) | −0.067 (4) |
| C29 | 0.076 (5) | 0.059 (5) | 0.071 (5) | −0.014 (4) | −0.013 (4) | −0.044 (4) |
| C30 | 0.056 (4) | 0.062 (4) | 0.046 (4) | −0.013 (3) | −0.005 (3) | −0.034 (3) |
| C1 | 0.024 (3) | 0.035 (3) | 0.037 (3) | 0.003 (2) | −0.005 (2) | −0.018 (3) |
| C2 | 0.048 (4) | 0.043 (4) | 0.057 (4) | 0.005 (3) | −0.026 (3) | −0.019 (3) |
| C3 | 0.042 (4) | 0.060 (5) | 0.065 (4) | −0.008 (3) | −0.020 (3) | −0.031 (4) |
| C4 | 0.051 (4) | 0.029 (4) | 0.060 (4) | −0.008 (3) | −0.006 (3) | −0.018 (3) |
| C5 | 0.065 (4) | 0.029 (4) | 0.080 (5) | −0.004 (3) | −0.035 (4) | −0.003 (3) |
| C6 | 0.049 (4) | 0.039 (4) | 0.063 (4) | −0.002 (3) | −0.027 (3) | −0.012 (3) |
| C7 | 0.051 (4) | 0.038 (4) | 0.048 (4) | −0.003 (3) | −0.020 (3) | −0.017 (3) |
| C8 | 0.082 (5) | 0.048 (4) | 0.048 (4) | 0.008 (3) | −0.016 (3) | −0.023 (3) |
| C9 | 0.092 (5) | 0.090 (6) | 0.060 (4) | 0.022 (5) | −0.037 (4) | −0.044 (4) |
| C10 | 0.106 (6) | 0.070 (5) | 0.062 (5) | 0.029 (4) | −0.048 (4) | −0.027 (4) |
| C11 | 0.103 (6) | 0.055 (5) | 0.065 (5) | 0.023 (4) | −0.044 (4) | −0.032 (4) |
| C12 | 0.068 (4) | 0.041 (4) | 0.052 (4) | 0.009 (3) | −0.030 (3) | −0.016 (3) |
| C13 | 0.034 (3) | 0.036 (3) | 0.051 (3) | 0.016 (3) | −0.021 (3) | −0.021 (3) |
| C14 | 0.044 (4) | 0.046 (4) | 0.056 (4) | 0.013 (3) | −0.014 (3) | −0.025 (3) |
| C15 | 0.056 (4) | 0.069 (5) | 0.059 (4) | 0.027 (4) | −0.021 (3) | −0.042 (4) |
| C16 | 0.075 (5) | 0.055 (4) | 0.065 (4) | 0.028 (4) | −0.037 (4) | −0.045 (4) |
| C17 | 0.059 (4) | 0.044 (4) | 0.070 (4) | 0.008 (3) | −0.031 (4) | −0.034 (4) |
| C18 | 0.037 (3) | 0.039 (4) | 0.052 (4) | 0.007 (3) | −0.017 (3) | −0.024 (3) |
| Si3 | 0.0244 (7) | 0.0293 (8) | 0.0327 (8) | 0.0060 (6) | −0.0075 (6) | −0.0188 (7) |
| Si4 | 0.0231 (7) | 0.0279 (8) | 0.0348 (8) | 0.0050 (6) | −0.0098 (6) | −0.0173 (7) |
| O4 | 0.040 (2) | 0.034 (2) | 0.044 (2) | 0.0177 (17) | −0.0180 (17) | −0.0226 (18) |
| O3 | 0.0254 (19) | 0.036 (2) | 0.042 (2) | 0.0046 (15) | −0.0100 (15) | −0.0148 (17) |
| C49 | 0.023 (3) | 0.038 (3) | 0.031 (3) | 0.003 (2) | −0.002 (2) | −0.024 (3) |
| C50 | 0.053 (4) | 0.043 (4) | 0.054 (4) | 0.007 (3) | −0.032 (3) | −0.019 (3) |
| C51 | 0.070 (4) | 0.028 (4) | 0.067 (4) | 0.008 (3) | −0.031 (4) | −0.014 (3) |
| C52 | 0.044 (3) | 0.032 (4) | 0.059 (4) | 0.007 (3) | −0.013 (3) | −0.028 (3) |
| C53 | 0.039 (3) | 0.055 (4) | 0.043 (3) | −0.005 (3) | −0.007 (3) | −0.030 (3) |
| C54 | 0.037 (3) | 0.040 (4) | 0.036 (3) | 0.002 (3) | −0.010 (3) | −0.018 (3) |
| C55 | 0.041 (3) | 0.032 (3) | 0.035 (3) | 0.002 (3) | −0.001 (2) | −0.022 (3) |
| C56 | 0.057 (4) | 0.065 (4) | 0.054 (4) | 0.023 (3) | −0.019 (3) | −0.041 (4) |
| C57 | 0.083 (5) | 0.078 (6) | 0.069 (5) | 0.037 (4) | −0.021 (4) | −0.052 (4) |
| C58 | 0.133 (8) | 0.055 (5) | 0.062 (5) | 0.002 (5) | 0.012 (5) | −0.045 (4) |
| C59 | 0.103 (7) | 0.103 (7) | 0.088 (6) | −0.048 (5) | 0.014 (5) | −0.075 (5) |
| C60 | 0.055 (4) | 0.092 (6) | 0.080 (5) | −0.016 (4) | 0.004 (3) | −0.069 (5) |
| C31 | 0.027 (3) | 0.030 (3) | 0.037 (3) | 0.002 (2) | −0.007 (2) | −0.017 (3) |
| C32 | 0.026 (3) | 0.038 (4) | 0.055 (4) | 0.008 (3) | −0.013 (3) | −0.011 (3) |
| C33 | 0.049 (4) | 0.032 (4) | 0.064 (4) | 0.005 (3) | −0.013 (3) | −0.011 (3) |
| C34 | 0.045 (4) | 0.036 (4) | 0.066 (4) | −0.007 (3) | −0.009 (3) | −0.019 (3) |
| C35 | 0.032 (3) | 0.053 (4) | 0.089 (5) | −0.004 (3) | −0.027 (3) | −0.012 (4) |
| C36 | 0.040 (4) | 0.039 (4) | 0.077 (4) | −0.002 (3) | −0.022 (3) | −0.006 (3) |
| C37 | 0.025 (3) | 0.044 (3) | 0.038 (3) | 0.008 (2) | −0.008 (2) | −0.025 (3) |
| C38 | 0.045 (4) | 0.055 (4) | 0.078 (4) | 0.013 (3) | −0.019 (3) | −0.048 (4) |
| C39 | 0.049 (4) | 0.059 (4) | 0.097 (5) | 0.012 (3) | −0.011 (4) | −0.057 (4) |
| C40 | 0.060 (4) | 0.064 (5) | 0.068 (4) | −0.003 (4) | −0.005 (3) | −0.051 (4) |
| C41 | 0.052 (4) | 0.050 (4) | 0.046 (3) | 0.001 (3) | −0.019 (3) | −0.026 (3) |
| C42 | 0.033 (3) | 0.040 (3) | 0.048 (3) | 0.004 (2) | −0.011 (3) | −0.028 (3) |
| C43 | 0.041 (3) | 0.033 (4) | 0.045 (3) | 0.000 (3) | −0.019 (3) | −0.018 (3) |
| C44 | 0.123 (6) | 0.080 (6) | 0.076 (5) | 0.027 (5) | −0.061 (5) | −0.049 (5) |
| C45 | 0.137 (8) | 0.169 (11) | 0.084 (7) | 0.031 (8) | −0.060 (6) | −0.087 (7) |
| C46 | 0.100 (6) | 0.134 (9) | 0.046 (5) | 0.005 (6) | −0.034 (4) | −0.024 (6) |
| C47 | 0.113 (7) | 0.090 (7) | 0.056 (5) | 0.004 (5) | −0.038 (5) | −0.005 (5) |
| C48 | 0.094 (5) | 0.067 (5) | 0.054 (4) | 0.011 (4) | −0.039 (4) | −0.024 (4) |
| Si5 | 0.0277 (8) | 0.0379 (9) | 0.0314 (8) | 0.0137 (7) | −0.0084 (6) | −0.0185 (7) |
| Si6 | 0.0244 (8) | 0.0336 (9) | 0.0439 (9) | 0.0089 (6) | −0.0094 (6) | −0.0224 (7) |
| O6 | 0.051 (2) | 0.044 (2) | 0.039 (2) | 0.0153 (19) | −0.0158 (18) | −0.0208 (19) |
| O5 | 0.0265 (19) | 0.053 (2) | 0.050 (2) | 0.0181 (17) | −0.0104 (16) | −0.030 (2) |
| C79 | 0.026 (3) | 0.046 (4) | 0.038 (3) | 0.019 (2) | −0.012 (2) | −0.026 (3) |
| C80 | 0.044 (4) | 0.073 (5) | 0.047 (4) | 0.003 (3) | −0.015 (3) | −0.034 (4) |
| C81 | 0.056 (4) | 0.071 (5) | 0.075 (5) | 0.006 (4) | −0.035 (4) | −0.041 (4) |
| C82 | 0.049 (4) | 0.042 (4) | 0.071 (5) | 0.003 (3) | −0.029 (3) | −0.021 (4) |
| C83 | 0.059 (4) | 0.043 (4) | 0.051 (4) | 0.001 (3) | −0.019 (3) | −0.017 (3) |
| C84 | 0.058 (4) | 0.039 (4) | 0.051 (4) | 0.009 (3) | −0.028 (3) | −0.023 (3) |
| C85 | 0.029 (3) | 0.036 (3) | 0.031 (3) | 0.004 (2) | −0.005 (2) | −0.020 (3) |
| C86 | 0.042 (4) | 0.083 (5) | 0.069 (4) | 0.021 (3) | −0.027 (3) | −0.053 (4) |
| C87 | 0.068 (5) | 0.088 (5) | 0.067 (4) | 0.010 (4) | −0.033 (4) | −0.053 (4) |
| C88 | 0.059 (4) | 0.052 (4) | 0.057 (4) | 0.003 (3) | −0.008 (3) | −0.038 (3) |
| C89 | 0.052 (4) | 0.047 (4) | 0.056 (4) | 0.025 (3) | −0.008 (3) | −0.031 (3) |
| C90 | 0.037 (3) | 0.044 (4) | 0.038 (3) | 0.009 (3) | −0.010 (2) | −0.018 (3) |
| C61 | 0.035 (3) | 0.039 (4) | 0.046 (3) | 0.006 (3) | −0.012 (3) | −0.030 (3) |
| C62 | 0.046 (4) | 0.048 (4) | 0.083 (5) | 0.004 (3) | −0.022 (3) | −0.033 (4) |
| C63 | 0.050 (4) | 0.077 (6) | 0.099 (6) | −0.016 (4) | −0.026 (4) | −0.029 (5) |
| C64 | 0.090 (6) | 0.042 (4) | 0.083 (5) | −0.011 (4) | −0.031 (4) | −0.030 (4) |
| C65 | 0.077 (5) | 0.040 (4) | 0.067 (4) | 0.007 (4) | −0.022 (4) | −0.032 (4) |
| C66 | 0.047 (3) | 0.034 (4) | 0.048 (3) | 0.007 (3) | −0.013 (3) | −0.022 (3) |
| C67 | 0.026 (3) | 0.022 (3) | 0.040 (3) | 0.006 (2) | −0.013 (2) | −0.011 (3) |
| C68 | 0.044 (3) | 0.034 (4) | 0.053 (4) | −0.009 (3) | 0.001 (3) | −0.022 (3) |
| C69 | 0.063 (4) | 0.066 (5) | 0.048 (4) | 0.005 (4) | −0.007 (3) | −0.034 (4) |
| C70 | 0.057 (4) | 0.064 (5) | 0.062 (5) | 0.017 (4) | −0.024 (3) | −0.043 (4) |
| C71 | 0.043 (4) | 0.042 (4) | 0.077 (5) | 0.004 (3) | −0.032 (3) | −0.029 (4) |
| C72 | 0.030 (3) | 0.044 (4) | 0.039 (3) | 0.002 (3) | −0.014 (2) | −0.010 (3) |
| C73 | 0.033 (3) | 0.034 (3) | 0.044 (3) | 0.011 (2) | −0.015 (2) | −0.028 (3) |
| C74 | 0.044 (3) | 0.045 (4) | 0.053 (3) | 0.015 (3) | −0.023 (3) | −0.037 (3) |
| C75 | 0.060 (4) | 0.050 (4) | 0.076 (5) | 0.029 (3) | −0.046 (4) | −0.045 (4) |
| C76 | 0.064 (4) | 0.050 (4) | 0.067 (4) | 0.022 (3) | −0.043 (4) | −0.029 (4) |
| C77 | 0.064 (4) | 0.074 (5) | 0.042 (4) | 0.016 (4) | −0.018 (3) | −0.021 (4) |
| C78 | 0.047 (4) | 0.062 (4) | 0.053 (4) | 0.026 (3) | −0.023 (3) | −0.029 (3) |
| Si7 | 0.0222 (7) | 0.0313 (9) | 0.0310 (8) | 0.0079 (6) | −0.0080 (6) | −0.0162 (7) |
| Si8 | 0.0242 (8) | 0.0279 (9) | 0.0442 (9) | 0.0078 (6) | −0.0136 (6) | −0.0203 (7) |
| O8 | 0.044 (2) | 0.037 (2) | 0.039 (2) | 0.0120 (18) | −0.0152 (17) | −0.0194 (18) |
| O7 | 0.0291 (19) | 0.041 (2) | 0.044 (2) | 0.0128 (16) | −0.0168 (16) | −0.0214 (18) |
| C109 | 0.025 (3) | 0.028 (3) | 0.023 (3) | 0.003 (2) | 0.001 (2) | −0.006 (2) |
| C110 | 0.041 (3) | 0.068 (5) | 0.070 (4) | 0.009 (3) | −0.023 (3) | −0.048 (4) |
| C111 | 0.079 (5) | 0.080 (5) | 0.071 (5) | 0.004 (4) | −0.025 (4) | −0.056 (4) |
| C112 | 0.063 (4) | 0.048 (4) | 0.054 (4) | 0.010 (3) | −0.002 (3) | −0.035 (3) |
| C113 | 0.060 (4) | 0.058 (4) | 0.056 (4) | 0.031 (3) | −0.014 (3) | −0.035 (4) |
| C114 | 0.047 (4) | 0.053 (4) | 0.039 (3) | 0.018 (3) | −0.010 (3) | −0.022 (3) |
| C115 | 0.023 (3) | 0.038 (3) | 0.040 (3) | 0.005 (2) | −0.009 (2) | −0.028 (3) |
| C116 | 0.071 (5) | 0.048 (4) | 0.098 (5) | −0.013 (4) | −0.059 (4) | 0.001 (4) |
| C117 | 0.089 (6) | 0.066 (5) | 0.129 (7) | −0.019 (4) | −0.073 (5) | −0.020 (5) |
| C118 | 0.053 (4) | 0.045 (4) | 0.063 (4) | −0.011 (3) | −0.015 (3) | −0.027 (4) |
| C119 | 0.053 (4) | 0.037 (4) | 0.048 (4) | −0.007 (3) | −0.020 (3) | −0.009 (3) |
| C120 | 0.044 (3) | 0.053 (4) | 0.040 (3) | −0.003 (3) | −0.021 (3) | −0.014 (3) |
| C91 | 0.029 (3) | 0.038 (4) | 0.053 (3) | 0.012 (2) | −0.013 (3) | −0.031 (3) |
| C92 | 0.040 (4) | 0.038 (4) | 0.097 (5) | 0.011 (3) | −0.027 (3) | −0.032 (4) |
| C93 | 0.039 (4) | 0.055 (5) | 0.114 (6) | 0.003 (3) | −0.029 (4) | −0.031 (5) |
| C94 | 0.039 (4) | 0.044 (4) | 0.086 (5) | −0.008 (3) | −0.009 (3) | −0.019 (4) |
| C95 | 0.082 (5) | 0.028 (4) | 0.051 (4) | 0.002 (3) | −0.017 (3) | −0.021 (3) |
| C96 | 0.040 (3) | 0.032 (3) | 0.045 (3) | −0.004 (3) | −0.015 (3) | −0.018 (3) |
| C97 | 0.021 (3) | 0.018 (3) | 0.042 (3) | 0.007 (2) | −0.014 (2) | −0.010 (2) |
| C98 | 0.031 (3) | 0.024 (3) | 0.039 (3) | 0.007 (2) | −0.015 (2) | −0.012 (3) |
| C99 | 0.036 (3) | 0.023 (3) | 0.056 (4) | 0.010 (2) | −0.023 (3) | −0.018 (3) |
| C100 | 0.050 (4) | 0.042 (4) | 0.050 (4) | 0.023 (3) | −0.028 (3) | −0.028 (3) |
| C101 | 0.045 (3) | 0.043 (4) | 0.037 (3) | 0.008 (3) | −0.010 (3) | −0.018 (3) |
| C102 | 0.038 (3) | 0.034 (3) | 0.043 (3) | 0.004 (3) | −0.009 (3) | −0.019 (3) |
| C103 | 0.029 (3) | 0.027 (3) | 0.050 (3) | 0.002 (2) | −0.015 (2) | −0.023 (3) |
| C104 | 0.033 (3) | 0.043 (3) | 0.047 (3) | 0.010 (3) | −0.022 (3) | −0.030 (3) |
| C105 | 0.044 (3) | 0.042 (4) | 0.068 (4) | 0.023 (3) | −0.033 (3) | −0.042 (3) |
| C106 | 0.057 (4) | 0.038 (4) | 0.061 (4) | 0.012 (3) | −0.037 (3) | −0.021 (3) |
| C107 | 0.047 (4) | 0.069 (5) | 0.045 (4) | 0.007 (3) | −0.022 (3) | −0.015 (3) |
| C108 | 0.034 (3) | 0.054 (4) | 0.046 (3) | 0.021 (3) | −0.015 (3) | −0.032 (3) |
| Si1—O1 | 1.605 (3) | Si5—O5 | 1.627 (3) |
| Si1—O2 | 1.643 (4) | Si5—O6 | 1.612 (3) |
| Si1—C19 | 1.861 (5) | Si5—C79 | 1.870 (6) |
| Si1—C25 | 1.856 (6) | Si5—C85 | 1.855 (5) |
| Si2—O1 | 1.625 (3) | Si6—O5 | 1.631 (3) |
| Si2—C1 | 1.872 (5) | Si6—C61 | 1.856 (5) |
| Si2—C7 | 1.860 (5) | Si6—C67 | 1.866 (6) |
| Si2—C13 | 1.868 (6) | Si6—C73 | 1.863 (5) |
| O2—H2 | 0.8400 | O6—H6A | 0.8400 |
| C19—C24 | 1.398 (7) | C79—C84 | 1.382 (7) |
| C19—C20 | 1.402 (7) | C79—C80 | 1.399 (8) |
| C20—C21 | 1.388 (8) | C80—C81 | 1.383 (8) |
| C20—H20 | 0.9500 | C80—H80 | 0.9500 |
| C21—C22 | 1.358 (8) | C81—C82 | 1.375 (8) |
| C21—H21 | 0.9500 | C81—H81 | 0.9500 |
| C22—C23 | 1.370 (9) | C82—C83 | 1.373 (8) |
| C22—H22 | 0.9500 | C82—H82 | 0.9500 |
| C23—C24 | 1.395 (8) | C83—C84 | 1.381 (8) |
| C23—H23 | 0.9500 | C83—H83 | 0.9500 |
| C24—H24 | 0.9500 | C84—H84 | 0.9500 |
| C25—C30 | 1.378 (8) | C85—C86 | 1.394 (7) |
| C25—C26 | 1.400 (7) | C85—C90 | 1.398 (7) |
| C26—C27 | 1.406 (9) | C86—C87 | 1.394 (9) |
| C26—H26 | 0.9500 | C86—H86 | 0.9500 |
| C27—C28 | 1.367 (9) | C87—C88 | 1.367 (8) |
| C27—H27 | 0.9500 | C87—H87 | 0.9500 |
| C28—C29 | 1.355 (8) | C88—C89 | 1.359 (8) |
| C28—H28 | 0.9500 | C88—H88 | 0.9500 |
| C29—C30 | 1.383 (9) | C89—C90 | 1.398 (8) |
| C29—H29 | 0.9500 | C89—H89 | 0.9500 |
| C30—H30 | 0.9500 | C90—H90 | 0.9500 |
| C1—C6 | 1.381 (7) | C61—C62 | 1.389 (7) |
| C1—C2 | 1.402 (7) | C61—C66 | 1.413 (7) |
| C2—C3 | 1.381 (8) | C62—C63 | 1.384 (9) |
| C2—H2A | 0.9500 | C62—H62 | 0.9500 |
| C3—C4 | 1.360 (8) | C63—C64 | 1.369 (9) |
| C3—H3 | 0.9500 | C63—H63 | 0.9500 |
| C4—C5 | 1.358 (8) | C64—C65 | 1.373 (8) |
| C4—H4 | 0.9500 | C64—H64 | 0.9500 |
| C5—C6 | 1.375 (8) | C65—C66 | 1.373 (8) |
| C5—H5 | 0.9500 | C65—H65 | 0.9500 |
| C6—H6 | 0.9500 | C66—H66 | 0.9500 |
| C7—C12 | 1.398 (8) | C67—C68 | 1.399 (7) |
| C7—C8 | 1.399 (8) | C67—C72 | 1.399 (7) |
| C8—C9 | 1.424 (8) | C68—C69 | 1.383 (8) |
| C8—H8 | 0.9500 | C68—H68 | 0.9500 |
| C9—C10 | 1.397 (9) | C69—C70 | 1.361 (9) |
| C9—H9 | 0.9500 | C69—H69 | 0.9500 |
| C10—C11 | 1.377 (9) | C70—C71 | 1.381 (8) |
| C10—H10 | 0.9500 | C70—H70 | 0.9500 |
| C11—C12 | 1.372 (8) | C71—C72 | 1.384 (8) |
| C11—H11 | 0.9500 | C71—H71 | 0.9500 |
| C12—H12 | 0.9500 | C72—H72 | 0.9500 |
| C13—C18 | 1.380 (7) | C73—C74 | 1.390 (7) |
| C13—C14 | 1.409 (7) | C73—C78 | 1.407 (7) |
| C14—C15 | 1.381 (8) | C74—C75 | 1.385 (7) |
| C14—H14 | 0.9500 | C74—H74 | 0.9500 |
| C15—C16 | 1.376 (8) | C75—C76 | 1.360 (8) |
| C15—H15 | 0.9500 | C75—H75 | 0.9500 |
| C16—C17 | 1.378 (8) | C76—C77 | 1.371 (8) |
| C16—H16 | 0.9500 | C76—H76 | 0.9500 |
| C17—C18 | 1.391 (8) | C77—C78 | 1.392 (7) |
| C17—H17 | 0.9500 | C77—H77 | 0.9500 |
| C18—H18 | 0.9500 | C78—H78 | 0.9500 |
| Si3—O3 | 1.608 (3) | Si7—O7 | 1.631 (3) |
| Si3—O4 | 1.648 (3) | Si7—O8 | 1.610 (3) |
| Si3—C49 | 1.860 (5) | Si7—C109 | 1.842 (5) |
| Si3—C55 | 1.851 (5) | Si7—C115 | 1.859 (5) |
| Si4—O3 | 1.636 (3) | Si8—O7 | 1.632 (3) |
| Si4—C31 | 1.864 (5) | Si8—C91 | 1.859 (5) |
| Si4—C37 | 1.866 (6) | Si8—C97 | 1.865 (5) |
| Si4—C43 | 1.868 (5) | Si8—C103 | 1.873 (5) |
| O4—H4A | 0.8400 | O8—H8A | 0.8400 |
| C49—C50 | 1.387 (7) | C109—C110 | 1.390 (7) |
| C49—C54 | 1.393 (7) | C109—C114 | 1.392 (7) |
| C50—C51 | 1.392 (8) | C110—C111 | 1.399 (9) |
| C50—H50 | 0.9500 | C110—H110 | 0.9500 |
| C51—C52 | 1.354 (8) | C111—C112 | 1.360 (8) |
| C51—H51 | 0.9500 | C111—H111 | 0.9500 |
| C52—C53 | 1.370 (7) | C112—C113 | 1.368 (8) |
| C52—H52 | 0.9500 | C112—H112 | 0.9500 |
| C53—C54 | 1.398 (7) | C113—C114 | 1.399 (8) |
| C53—H53 | 0.9500 | C113—H113 | 0.9500 |
| C54—H54 | 0.9500 | C114—H114 | 0.9500 |
| C55—C60 | 1.372 (8) | C115—C120 | 1.378 (7) |
| C55—C56 | 1.391 (7) | C115—C116 | 1.386 (7) |
| C56—C57 | 1.376 (9) | C116—C117 | 1.369 (9) |
| C56—H56 | 0.9500 | C116—H116 | 0.9500 |
| C57—C58 | 1.384 (10) | C117—C118 | 1.385 (8) |
| C57—H57 | 0.9500 | C117—H117 | 0.9500 |
| C58—C59 | 1.372 (10) | C118—C119 | 1.345 (8) |
| C58—H58 | 0.9500 | C118—H118 | 0.9500 |
| C59—C60 | 1.380 (10) | C119—C120 | 1.381 (8) |
| C59—H59 | 0.9500 | C119—H119 | 0.9500 |
| C60—H60 | 0.9500 | C120—H120 | 0.9500 |
| C31—C32 | 1.380 (7) | C91—C96 | 1.386 (7) |
| C31—C36 | 1.408 (7) | C91—C92 | 1.400 (7) |
| C32—C33 | 1.381 (8) | C92—C93 | 1.371 (8) |
| C32—H32 | 0.9500 | C92—H92 | 0.9500 |
| C33—C34 | 1.381 (8) | C93—C94 | 1.399 (8) |
| C33—H33 | 0.9500 | C93—H93 | 0.9500 |
| C34—C35 | 1.377 (8) | C94—C95 | 1.370 (8) |
| C34—H34 | 0.9500 | C94—H94 | 0.9500 |
| C35—C36 | 1.378 (8) | C95—C96 | 1.379 (7) |
| C35—H35 | 0.9500 | C95—H95 | 0.9500 |
| C36—H36 | 0.9500 | C96—H96 | 0.9500 |
| C37—C42 | 1.392 (7) | C97—C98 | 1.391 (7) |
| C37—C38 | 1.394 (7) | C97—C102 | 1.393 (7) |
| C38—C39 | 1.408 (9) | C98—C99 | 1.392 (7) |
| C38—H38 | 0.9500 | C98—H98 | 0.9500 |
| C39—C40 | 1.383 (9) | C99—C100 | 1.383 (7) |
| C39—H39 | 0.9500 | C99—H99 | 0.9500 |
| C40—C41 | 1.357 (8) | C100—C101 | 1.380 (8) |
| C40—H40 | 0.9500 | C100—H100 | 0.9500 |
| C41—C42 | 1.376 (8) | C101—C102 | 1.379 (8) |
| C41—H41 | 0.9500 | C101—H101 | 0.9500 |
| C42—H42 | 0.9500 | C102—H102 | 0.9500 |
| C43—C44 | 1.373 (9) | C103—C108 | 1.390 (7) |
| C43—C48 | 1.373 (8) | C103—C104 | 1.400 (7) |
| C44—C45 | 1.394 (10) | C104—C105 | 1.389 (7) |
| C44—H44 | 0.9500 | C104—H104 | 0.9500 |
| C45—C46 | 1.372 (12) | C105—C106 | 1.379 (8) |
| C45—H45 | 0.9500 | C105—H105 | 0.9500 |
| C46—C47 | 1.329 (12) | C106—C107 | 1.370 (8) |
| C46—H46 | 0.9500 | C106—H106 | 0.9500 |
| C47—C48 | 1.387 (9) | C107—C108 | 1.383 (7) |
| C47—H47 | 0.9500 | C107—H107 | 0.9500 |
| C48—H48 | 0.9500 | C108—H108 | 0.9500 |
| O1—Si1—O2 | 104.17 (18) | O6—Si5—O5 | 112.03 (19) |
| O1—Si1—C25 | 109.1 (2) | O6—Si5—C85 | 106.6 (2) |
| O2—Si1—C25 | 111.2 (2) | O5—Si5—C85 | 106.0 (2) |
| O1—Si1—C19 | 110.9 (2) | O6—Si5—C79 | 111.8 (2) |
| O2—Si1—C19 | 109.2 (2) | O5—Si5—C79 | 108.5 (2) |
| C25—Si1—C19 | 112.1 (2) | C85—Si5—C79 | 111.8 (2) |
| O1—Si2—C7 | 112.3 (2) | O5—Si6—C61 | 109.1 (2) |
| O1—Si2—C13 | 108.5 (2) | O5—Si6—C73 | 105.4 (2) |
| C7—Si2—C13 | 109.1 (3) | C61—Si6—C73 | 113.6 (2) |
| O1—Si2—C1 | 108.6 (2) | O5—Si6—C67 | 110.4 (2) |
| C7—Si2—C1 | 108.2 (2) | C61—Si6—C67 | 107.8 (2) |
| C13—Si2—C1 | 110.1 (2) | C73—Si6—C67 | 110.5 (2) |
| Si1—O2—H2 | 109.5 | Si5—O6—H6A | 109.5 |
| Si1—O1—Si2 | 169.5 (2) | Si5—O5—Si6 | 149.0 (2) |
| C24—C19—C20 | 116.3 (5) | C84—C79—C80 | 115.5 (5) |
| C24—C19—Si1 | 122.2 (4) | C84—C79—Si5 | 120.8 (4) |
| C20—C19—Si1 | 121.5 (4) | C80—C79—Si5 | 123.7 (4) |
| C21—C20—C19 | 121.4 (6) | C81—C80—C79 | 122.2 (6) |
| C21—C20—H20 | 119.3 | C81—C80—H80 | 118.9 |
| C19—C20—H20 | 119.3 | C79—C80—H80 | 118.9 |
| C22—C21—C20 | 120.8 (6) | C82—C81—C80 | 120.1 (6) |
| C22—C21—H21 | 119.6 | C82—C81—H81 | 120.0 |
| C20—C21—H21 | 119.6 | C80—C81—H81 | 120.0 |
| C21—C22—C23 | 120.0 (6) | C83—C82—C81 | 119.2 (6) |
| C21—C22—H22 | 120.0 | C83—C82—H82 | 120.4 |
| C23—C22—H22 | 120.0 | C81—C82—H82 | 120.4 |
| C22—C23—C24 | 119.9 (6) | C82—C83—C84 | 119.9 (6) |
| C22—C23—H23 | 120.1 | C82—C83—H83 | 120.0 |
| C24—C23—H23 | 120.1 | C84—C83—H83 | 120.0 |
| C23—C24—C19 | 121.7 (6) | C83—C84—C79 | 123.0 (6) |
| C23—C24—H24 | 119.1 | C83—C84—H84 | 118.5 |
| C19—C24—H24 | 119.1 | C79—C84—H84 | 118.5 |
| C30—C25—C26 | 115.7 (5) | C86—C85—C90 | 116.8 (5) |
| C30—C25—Si1 | 121.4 (4) | C86—C85—Si5 | 123.4 (4) |
| C26—C25—Si1 | 122.8 (4) | C90—C85—Si5 | 119.8 (4) |
| C25—C26—C27 | 121.4 (6) | C87—C86—C85 | 121.5 (5) |
| C25—C26—H26 | 119.3 | C87—C86—H86 | 119.3 |
| C27—C26—H26 | 119.3 | C85—C86—H86 | 119.3 |
| C28—C27—C26 | 119.6 (6) | C88—C87—C86 | 120.3 (6) |
| C28—C27—H27 | 120.2 | C88—C87—H87 | 119.8 |
| C26—C27—H27 | 120.2 | C86—C87—H87 | 119.8 |
| C29—C28—C27 | 120.3 (6) | C89—C88—C87 | 119.6 (6) |
| C29—C28—H28 | 119.8 | C89—C88—H88 | 120.2 |
| C27—C28—H28 | 119.8 | C87—C88—H88 | 120.2 |
| C28—C29—C30 | 119.7 (6) | C88—C89—C90 | 120.9 (5) |
| C28—C29—H29 | 120.1 | C88—C89—H89 | 119.5 |
| C30—C29—H29 | 120.1 | C90—C89—H89 | 119.5 |
| C25—C30—C29 | 123.2 (6) | C89—C90—C85 | 120.8 (5) |
| C25—C30—H30 | 118.4 | C89—C90—H90 | 119.6 |
| C29—C30—H30 | 118.4 | C85—C90—H90 | 119.6 |
| C6—C1—C2 | 116.6 (5) | C62—C61—C66 | 116.0 (5) |
| C6—C1—Si2 | 120.9 (4) | C62—C61—Si6 | 123.5 (4) |
| C2—C1—Si2 | 122.5 (4) | C66—C61—Si6 | 120.4 (4) |
| C3—C2—C1 | 121.6 (5) | C63—C62—C61 | 121.3 (6) |
| C3—C2—H2A | 119.2 | C63—C62—H62 | 119.4 |
| C1—C2—H2A | 119.2 | C61—C62—H62 | 119.4 |
| C4—C3—C2 | 119.9 (5) | C64—C63—C62 | 121.7 (6) |
| C4—C3—H3 | 120.1 | C64—C63—H63 | 119.2 |
| C2—C3—H3 | 120.1 | C62—C63—H63 | 119.2 |
| C5—C4—C3 | 119.5 (5) | C63—C64—C65 | 118.3 (6) |
| C5—C4—H4 | 120.3 | C63—C64—H64 | 120.8 |
| C3—C4—H4 | 120.3 | C65—C64—H64 | 120.8 |
| C4—C5—C6 | 121.4 (5) | C64—C65—C66 | 120.9 (6) |
| C4—C5—H5 | 119.3 | C64—C65—H65 | 119.5 |
| C6—C5—H5 | 119.3 | C66—C65—H65 | 119.5 |
| C5—C6—C1 | 121.0 (5) | C65—C66—C61 | 121.8 (5) |
| C5—C6—H6 | 119.5 | C65—C66—H66 | 119.1 |
| C1—C6—H6 | 119.5 | C61—C66—H66 | 119.1 |
| C12—C7—C8 | 118.6 (5) | C68—C67—C72 | 115.8 (5) |
| C12—C7—Si2 | 121.3 (5) | C68—C67—Si6 | 123.4 (4) |
| C8—C7—Si2 | 119.5 (5) | C72—C67—Si6 | 120.8 (4) |
| C7—C8—C9 | 119.9 (6) | C69—C68—C67 | 122.3 (5) |
| C7—C8—H8 | 120.1 | C69—C68—H68 | 118.8 |
| C9—C8—H8 | 120.1 | C67—C68—H68 | 118.8 |
| C10—C9—C8 | 118.6 (7) | C70—C69—C68 | 120.0 (6) |
| C10—C9—H9 | 120.7 | C70—C69—H69 | 120.0 |
| C8—C9—H9 | 120.7 | C68—C69—H69 | 120.0 |
| C11—C10—C9 | 121.4 (6) | C69—C70—C71 | 120.1 (6) |
| C11—C10—H10 | 119.3 | C69—C70—H70 | 120.0 |
| C9—C10—H10 | 119.3 | C71—C70—H70 | 120.0 |
| C12—C11—C10 | 119.4 (7) | C70—C71—C72 | 119.7 (6) |
| C12—C11—H11 | 120.3 | C70—C71—H71 | 120.2 |
| C10—C11—H11 | 120.3 | C72—C71—H71 | 120.2 |
| C11—C12—C7 | 122.0 (6) | C71—C72—C67 | 122.1 (5) |
| C11—C12—H12 | 119.0 | C71—C72—H72 | 118.9 |
| C7—C12—H12 | 119.0 | C67—C72—H72 | 118.9 |
| C18—C13—C14 | 116.5 (5) | C74—C73—C78 | 116.5 (5) |
| C18—C13—Si2 | 121.6 (4) | C74—C73—Si6 | 122.6 (4) |
| C14—C13—Si2 | 121.9 (4) | C78—C73—Si6 | 120.9 (4) |
| C15—C14—C13 | 121.6 (6) | C75—C74—C73 | 121.6 (5) |
| C15—C14—H14 | 119.2 | C75—C74—H74 | 119.2 |
| C13—C14—H14 | 119.2 | C73—C74—H74 | 119.2 |
| C16—C15—C14 | 120.6 (6) | C76—C75—C74 | 120.7 (5) |
| C16—C15—H15 | 119.7 | C76—C75—H75 | 119.7 |
| C14—C15—H15 | 119.7 | C74—C75—H75 | 119.7 |
| C15—C16—C17 | 118.8 (6) | C75—C76—C77 | 119.9 (5) |
| C15—C16—H16 | 120.6 | C75—C76—H76 | 120.1 |
| C17—C16—H16 | 120.6 | C77—C76—H76 | 120.1 |
| C16—C17—C18 | 120.6 (6) | C76—C77—C78 | 120.0 (6) |
| C16—C17—H17 | 119.7 | C76—C77—H77 | 120.0 |
| C18—C17—H17 | 119.7 | C78—C77—H77 | 120.0 |
| C13—C18—C17 | 121.9 (5) | C77—C78—C73 | 121.3 (5) |
| C13—C18—H18 | 119.1 | C77—C78—H78 | 119.4 |
| C17—C18—H18 | 119.1 | C73—C78—H78 | 119.4 |
| O3—Si3—O4 | 105.95 (17) | O8—Si7—O7 | 113.08 (18) |
| O3—Si3—C55 | 109.9 (2) | O8—Si7—C109 | 106.2 (2) |
| O4—Si3—C55 | 109.0 (2) | O7—Si7—C109 | 106.6 (2) |
| O3—Si3—C49 | 110.2 (2) | O8—Si7—C115 | 111.2 (2) |
| O4—Si3—C49 | 106.2 (2) | O7—Si7—C115 | 107.6 (2) |
| C55—Si3—C49 | 115.1 (2) | C109—Si7—C115 | 112.1 (2) |
| O3—Si4—C31 | 106.6 (2) | O7—Si8—C91 | 110.1 (2) |
| O3—Si4—C37 | 108.1 (2) | O7—Si8—C97 | 110.42 (19) |
| C31—Si4—C37 | 113.9 (2) | C91—Si8—C97 | 109.1 (2) |
| O3—Si4—C43 | 110.2 (2) | O7—Si8—C103 | 106.7 (2) |
| C31—Si4—C43 | 107.9 (2) | C91—Si8—C103 | 111.1 (2) |
| C37—Si4—C43 | 110.2 (2) | C97—Si8—C103 | 109.4 (2) |
| Si3—O4—H4A | 109.5 | Si7—O8—H8A | 109.5 |
| Si3—O3—Si4 | 161.2 (2) | Si7—O7—Si8 | 145.1 (2) |
| C50—C49—C54 | 116.3 (5) | C110—C109—C114 | 116.5 (5) |
| C50—C49—Si3 | 121.7 (4) | C110—C109—Si7 | 123.7 (4) |
| C54—C49—Si3 | 122.0 (4) | C114—C109—Si7 | 119.7 (4) |
| C49—C50—C51 | 121.6 (5) | C109—C110—C111 | 122.0 (6) |
| C49—C50—H50 | 119.2 | C109—C110—H110 | 119.0 |
| C51—C50—H50 | 119.2 | C111—C110—H110 | 119.0 |
| C52—C51—C50 | 120.8 (5) | C112—C111—C110 | 119.6 (6) |
| C52—C51—H51 | 119.6 | C112—C111—H111 | 120.2 |
| C50—C51—H51 | 119.6 | C110—C111—H111 | 120.2 |
| C51—C52—C53 | 119.7 (5) | C111—C112—C113 | 120.5 (6) |
| C51—C52—H52 | 120.1 | C111—C112—H112 | 119.7 |
| C53—C52—H52 | 120.1 | C113—C112—H112 | 119.7 |
| C52—C53—C54 | 119.6 (5) | C112—C113—C114 | 119.7 (6) |
| C52—C53—H53 | 120.2 | C112—C113—H113 | 120.2 |
| C54—C53—H53 | 120.2 | C114—C113—H113 | 120.2 |
| C49—C54—C53 | 121.9 (5) | C109—C114—C113 | 121.7 (6) |
| C49—C54—H54 | 119.0 | C109—C114—H114 | 119.2 |
| C53—C54—H54 | 119.0 | C113—C114—H114 | 119.2 |
| C60—C55—C56 | 116.9 (5) | C120—C115—C116 | 115.9 (5) |
| C60—C55—Si3 | 122.7 (4) | C120—C115—Si7 | 122.4 (4) |
| C56—C55—Si3 | 120.3 (4) | C116—C115—Si7 | 121.7 (4) |
| C57—C56—C55 | 122.5 (7) | C117—C116—C115 | 121.4 (6) |
| C57—C56—H56 | 118.8 | C117—C116—H116 | 119.3 |
| C55—C56—H56 | 118.8 | C115—C116—H116 | 119.3 |
| C56—C57—C58 | 118.9 (7) | C116—C117—C118 | 120.8 (6) |
| C56—C57—H57 | 120.6 | C116—C117—H117 | 119.6 |
| C58—C57—H57 | 120.6 | C118—C117—H117 | 119.6 |
| C59—C58—C57 | 119.8 (7) | C119—C118—C117 | 118.9 (6) |
| C59—C58—H58 | 120.1 | C119—C118—H118 | 120.5 |
| C57—C58—H58 | 120.1 | C117—C118—H118 | 120.5 |
| C58—C59—C60 | 120.0 (7) | C118—C119—C120 | 119.8 (5) |
| C58—C59—H59 | 120.0 | C118—C119—H119 | 120.1 |
| C60—C59—H59 | 120.0 | C120—C119—H119 | 120.1 |
| C55—C60—C59 | 121.9 (6) | C115—C120—C119 | 123.1 (5) |
| C55—C60—H60 | 119.1 | C115—C120—H120 | 118.4 |
| C59—C60—H60 | 119.1 | C119—C120—H120 | 118.4 |
| C32—C31—C36 | 116.7 (5) | C96—C91—C92 | 117.7 (5) |
| C32—C31—Si4 | 122.8 (4) | C96—C91—Si8 | 122.0 (4) |
| C36—C31—Si4 | 120.3 (4) | C92—C91—Si8 | 120.3 (4) |
| C31—C32—C33 | 122.2 (5) | C93—C92—C91 | 121.3 (6) |
| C31—C32—H32 | 118.9 | C93—C92—H92 | 119.4 |
| C33—C32—H32 | 118.9 | C91—C92—H92 | 119.4 |
| C32—C33—C34 | 120.0 (5) | C92—C93—C94 | 119.2 (6) |
| C32—C33—H33 | 120.0 | C92—C93—H93 | 120.4 |
| C34—C33—H33 | 120.0 | C94—C93—H93 | 120.4 |
| C35—C34—C33 | 119.2 (5) | C95—C94—C93 | 120.4 (6) |
| C35—C34—H34 | 120.4 | C95—C94—H94 | 119.8 |
| C33—C34—H34 | 120.4 | C93—C94—H94 | 119.8 |
| C34—C35—C36 | 120.6 (5) | C94—C95—C96 | 119.5 (6) |
| C34—C35—H35 | 119.7 | C94—C95—H95 | 120.3 |
| C36—C35—H35 | 119.7 | C96—C95—H95 | 120.3 |
| C35—C36—C31 | 121.3 (5) | C95—C96—C91 | 121.6 (5) |
| C35—C36—H36 | 119.4 | C95—C96—H96 | 119.2 |
| C31—C36—H36 | 119.4 | C91—C96—H96 | 119.2 |
| C42—C37—C38 | 116.6 (5) | C98—C97—C102 | 116.2 (5) |
| C42—C37—Si4 | 122.6 (4) | C98—C97—Si8 | 120.1 (4) |
| C38—C37—Si4 | 120.8 (4) | C102—C97—Si8 | 123.7 (4) |
| C37—C38—C39 | 121.8 (6) | C97—C98—C99 | 122.7 (5) |
| C37—C38—H38 | 119.1 | C97—C98—H98 | 118.6 |
| C39—C38—H38 | 119.1 | C99—C98—H98 | 118.6 |
| C40—C39—C38 | 119.3 (6) | C100—C99—C98 | 119.4 (5) |
| C40—C39—H39 | 120.4 | C100—C99—H99 | 120.3 |
| C38—C39—H39 | 120.4 | C98—C99—H99 | 120.3 |
| C41—C40—C39 | 118.8 (6) | C101—C100—C99 | 118.9 (6) |
| C41—C40—H40 | 120.6 | C101—C100—H100 | 120.5 |
| C39—C40—H40 | 120.6 | C99—C100—H100 | 120.5 |
| C40—C41—C42 | 122.3 (6) | C102—C101—C100 | 121.0 (5) |
| C40—C41—H41 | 118.8 | C102—C101—H101 | 119.5 |
| C42—C41—H41 | 118.8 | C100—C101—H101 | 119.5 |
| C41—C42—C37 | 121.0 (5) | C101—C102—C97 | 121.8 (5) |
| C41—C42—H42 | 119.5 | C101—C102—H102 | 119.1 |
| C37—C42—H42 | 119.5 | C97—C102—H102 | 119.1 |
| C44—C43—C48 | 116.6 (6) | C108—C103—C104 | 117.4 (5) |
| C44—C43—Si4 | 120.1 (5) | C108—C103—Si8 | 122.4 (4) |
| C48—C43—Si4 | 123.2 (5) | C104—C103—Si8 | 120.2 (4) |
| C43—C44—C45 | 120.7 (8) | C105—C104—C103 | 120.7 (5) |
| C43—C44—H44 | 119.7 | C105—C104—H104 | 119.6 |
| C45—C44—H44 | 119.7 | C103—C104—H104 | 119.6 |
| C46—C45—C44 | 120.6 (9) | C106—C105—C104 | 120.2 (5) |
| C46—C45—H45 | 119.7 | C106—C105—H105 | 119.9 |
| C44—C45—H45 | 119.7 | C104—C105—H105 | 119.9 |
| C47—C46—C45 | 119.4 (8) | C107—C106—C105 | 120.0 (5) |
| C47—C46—H46 | 120.3 | C107—C106—H106 | 120.0 |
| C45—C46—H46 | 120.3 | C105—C106—H106 | 120.0 |
| C46—C47—C48 | 120.2 (8) | C106—C107—C108 | 120.0 (6) |
| C46—C47—H47 | 119.9 | C106—C107—H107 | 120.0 |
| C48—C47—H47 | 119.9 | C108—C107—H107 | 120.0 |
| C43—C48—C47 | 122.5 (8) | C107—C108—C103 | 121.7 (5) |
| C43—C48—H48 | 118.8 | C107—C108—H108 | 119.1 |
| C47—C48—H48 | 118.8 | C103—C108—H108 | 119.1 |
| O2—Si1—O1—Si2 | 156.0 (15) | O6—Si5—O5—Si6 | −33.0 (6) |
| C25—Si1—O1—Si2 | −85.2 (16) | C85—Si5—O5—Si6 | −148.9 (5) |
| C19—Si1—O1—Si2 | 38.7 (16) | C79—Si5—O5—Si6 | 90.9 (5) |
| C7—Si2—O1—Si1 | 20.3 (16) | C61—Si6—O5—Si5 | 92.5 (5) |
| C13—Si2—O1—Si1 | −100.4 (16) | C73—Si6—O5—Si5 | −145.2 (5) |
| C1—Si2—O1—Si1 | 139.9 (15) | C67—Si6—O5—Si5 | −25.8 (6) |
| O1—Si1—C19—C24 | −75.4 (4) | O6—Si5—C79—C84 | −165.6 (4) |
| O2—Si1—C19—C24 | 170.4 (4) | O5—Si5—C79—C84 | 70.3 (4) |
| C25—Si1—C19—C24 | 46.7 (5) | C85—Si5—C79—C84 | −46.2 (4) |
| O1—Si1—C19—C20 | 105.7 (4) | O6—Si5—C79—C80 | 15.2 (5) |
| O2—Si1—C19—C20 | −8.5 (5) | O5—Si5—C79—C80 | −108.8 (4) |
| C25—Si1—C19—C20 | −132.2 (4) | C85—Si5—C79—C80 | 134.6 (4) |
| C24—C19—C20—C21 | −0.1 (7) | C84—C79—C80—C81 | 1.9 (8) |
| Si1—C19—C20—C21 | 178.9 (4) | Si5—C79—C80—C81 | −178.9 (4) |
| C19—C20—C21—C22 | −0.4 (8) | C79—C80—C81—C82 | −0.4 (9) |
| C20—C21—C22—C23 | 1.2 (8) | C80—C81—C82—C83 | −1.3 (9) |
| C21—C22—C23—C24 | −1.5 (9) | C81—C82—C83—C84 | 1.4 (9) |
| C22—C23—C24—C19 | 0.9 (9) | C82—C83—C84—C79 | 0.2 (9) |
| C20—C19—C24—C23 | −0.2 (8) | C80—C79—C84—C83 | −1.8 (8) |
| Si1—C19—C24—C23 | −179.1 (4) | Si5—C79—C84—C83 | 179.0 (4) |
| O1—Si1—C25—C30 | −36.8 (5) | O6—Si5—C85—C86 | −134.3 (5) |
| O2—Si1—C25—C30 | 77.5 (5) | O5—Si5—C85—C86 | −14.7 (5) |
| C19—Si1—C25—C30 | −160.0 (5) | C79—Si5—C85—C86 | 103.3 (5) |
| O1—Si1—C25—C26 | 142.1 (5) | O6—Si5—C85—C90 | 45.9 (4) |
| O2—Si1—C25—C26 | −103.6 (5) | O5—Si5—C85—C90 | 165.4 (4) |
| C19—Si1—C25—C26 | 18.9 (5) | C79—Si5—C85—C90 | −76.6 (4) |
| C30—C25—C26—C27 | −1.2 (8) | C90—C85—C86—C87 | 0.3 (9) |
| Si1—C25—C26—C27 | 179.8 (5) | Si5—C85—C86—C87 | −179.6 (5) |
| C25—C26—C27—C28 | −0.1 (9) | C85—C86—C87—C88 | −0.5 (10) |
| C26—C27—C28—C29 | −0.4 (10) | C86—C87—C88—C89 | −0.1 (10) |
| C27—C28—C29—C30 | 2.2 (11) | C87—C88—C89—C90 | 1.0 (9) |
| C26—C25—C30—C29 | 3.1 (9) | C88—C89—C90—C85 | −1.3 (9) |
| Si1—C25—C30—C29 | −177.9 (5) | C86—C85—C90—C89 | 0.6 (8) |
| C28—C29—C30—C25 | −3.8 (10) | Si5—C85—C90—C89 | −179.5 (4) |
| O1—Si2—C1—C6 | 47.1 (5) | O5—Si6—C61—C62 | 152.4 (5) |
| C7—Si2—C1—C6 | 169.3 (4) | C73—Si6—C61—C62 | 35.1 (6) |
| C13—Si2—C1—C6 | −71.5 (5) | C67—Si6—C61—C62 | −87.7 (5) |
| O1—Si2—C1—C2 | −135.5 (4) | O5—Si6—C61—C66 | −31.3 (5) |
| C7—Si2—C1—C2 | −13.3 (5) | C73—Si6—C61—C66 | −148.6 (4) |
| C13—Si2—C1—C2 | 105.9 (5) | C67—Si6—C61—C66 | 88.6 (5) |
| C6—C1—C2—C3 | −1.1 (9) | C66—C61—C62—C63 | −0.8 (9) |
| Si2—C1—C2—C3 | −178.6 (5) | Si6—C61—C62—C63 | 175.6 (6) |
| C1—C2—C3—C4 | 1.4 (9) | C61—C62—C63—C64 | 0.5 (11) |
| C2—C3—C4—C5 | −1.7 (10) | C62—C63—C64—C65 | 0.2 (11) |
| C3—C4—C5—C6 | 1.8 (11) | C63—C64—C65—C66 | −0.7 (10) |
| C4—C5—C6—C1 | −1.6 (11) | C64—C65—C66—C61 | 0.4 (10) |
| C2—C1—C6—C5 | 1.2 (9) | C62—C61—C66—C65 | 0.4 (8) |
| Si2—C1—C6—C5 | 178.8 (5) | Si6—C61—C66—C65 | −176.2 (5) |
| O1—Si2—C7—C12 | −135.9 (5) | O5—Si6—C67—C68 | 120.3 (4) |
| C13—Si2—C7—C12 | −15.6 (6) | C61—Si6—C67—C68 | 1.2 (5) |
| C1—Si2—C7—C12 | 104.3 (5) | C73—Si6—C67—C68 | −123.5 (4) |
| O1—Si2—C7—C8 | 52.5 (6) | O5—Si6—C67—C72 | −58.3 (4) |
| C13—Si2—C7—C8 | 172.8 (5) | C61—Si6—C67—C72 | −177.4 (4) |
| C1—Si2—C7—C8 | −67.4 (5) | C73—Si6—C67—C72 | 57.9 (4) |
| C12—C7—C8—C9 | 2.3 (9) | C72—C67—C68—C69 | 0.4 (8) |
| Si2—C7—C8—C9 | 174.2 (5) | Si6—C67—C68—C69 | −178.3 (4) |
| C7—C8—C9—C10 | −1.3 (10) | C67—C68—C69—C70 | −0.9 (9) |
| C8—C9—C10—C11 | 0.8 (12) | C68—C69—C70—C71 | 0.9 (9) |
| C9—C10—C11—C12 | −1.2 (12) | C69—C70—C71—C72 | −0.4 (8) |
| C10—C11—C12—C7 | 2.3 (10) | C70—C71—C72—C67 | −0.1 (8) |
| C8—C7—C12—C11 | −2.9 (9) | C68—C67—C72—C71 | 0.1 (7) |
| Si2—C7—C12—C11 | −174.6 (5) | Si6—C67—C72—C71 | 178.8 (4) |
| O1—Si2—C13—C18 | 35.2 (5) | O5—Si6—C73—C74 | 165.2 (4) |
| C7—Si2—C13—C18 | −87.4 (4) | C61—Si6—C73—C74 | −75.4 (5) |
| C1—Si2—C13—C18 | 153.9 (4) | C67—Si6—C73—C74 | 45.9 (5) |
| O1—Si2—C13—C14 | −145.8 (4) | O5—Si6—C73—C78 | −11.6 (5) |
| C7—Si2—C13—C14 | 91.5 (5) | C61—Si6—C73—C78 | 107.8 (5) |
| C1—Si2—C13—C14 | −27.1 (5) | C67—Si6—C73—C78 | −130.9 (5) |
| C18—C13—C14—C15 | 2.3 (7) | C78—C73—C74—C75 | −0.6 (8) |
| Si2—C13—C14—C15 | −176.7 (4) | Si6—C73—C74—C75 | −177.5 (4) |
| C13—C14—C15—C16 | −1.3 (9) | C73—C74—C75—C76 | 1.9 (9) |
| C14—C15—C16—C17 | 0.5 (9) | C74—C75—C76—C77 | −2.7 (10) |
| C15—C16—C17—C18 | −0.7 (8) | C75—C76—C77—C78 | 2.1 (10) |
| C14—C13—C18—C17 | −2.6 (7) | C76—C77—C78—C73 | −0.8 (10) |
| Si2—C13—C18—C17 | 176.4 (4) | C74—C73—C78—C77 | 0.0 (9) |
| C16—C17—C18—C13 | 1.9 (8) | Si6—C73—C78—C77 | 177.0 (5) |
| O4—Si3—O3—Si4 | −153.8 (8) | O8—Si7—O7—Si8 | −27.5 (5) |
| C55—Si3—O3—Si4 | 88.6 (8) | C109—Si7—O7—Si8 | −143.8 (4) |
| C49—Si3—O3—Si4 | −39.4 (9) | C115—Si7—O7—Si8 | 95.7 (4) |
| C31—Si4—O3—Si3 | −151.4 (8) | C91—Si8—O7—Si7 | 92.4 (4) |
| C37—Si4—O3—Si3 | 85.9 (8) | C97—Si8—O7—Si7 | −28.2 (5) |
| C43—Si4—O3—Si3 | −34.5 (9) | C103—Si8—O7—Si7 | −147.0 (4) |
| O3—Si3—C49—C50 | 53.4 (5) | O8—Si7—C109—C110 | −128.3 (5) |
| O4—Si3—C49—C50 | 167.7 (4) | O7—Si7—C109—C110 | −7.4 (5) |
| C55—Si3—C49—C50 | −71.6 (5) | C115—Si7—C109—C110 | 110.1 (5) |
| O3—Si3—C49—C54 | −124.5 (4) | O8—Si7—C109—C114 | 53.0 (4) |
| O4—Si3—C49—C54 | −10.2 (5) | O7—Si7—C109—C114 | 173.9 (4) |
| C55—Si3—C49—C54 | 110.5 (4) | C115—Si7—C109—C114 | −68.6 (4) |
| C54—C49—C50—C51 | −0.5 (8) | C114—C109—C110—C111 | −0.2 (8) |
| Si3—C49—C50—C51 | −178.5 (5) | Si7—C109—C110—C111 | −179.0 (5) |
| C49—C50—C51—C52 | −1.2 (9) | C109—C110—C111—C112 | 1.0 (10) |
| C50—C51—C52—C53 | 1.8 (9) | C110—C111—C112—C113 | −2.0 (10) |
| C51—C52—C53—C54 | −0.8 (8) | C111—C112—C113—C114 | 2.2 (10) |
| C50—C49—C54—C53 | 1.5 (7) | C110—C109—C114—C113 | 0.4 (8) |
| Si3—C49—C54—C53 | 179.5 (4) | Si7—C109—C114—C113 | 179.2 (4) |
| C52—C53—C54—C49 | −0.9 (8) | C112—C113—C114—C109 | −1.4 (9) |
| O3—Si3—C55—C60 | 7.2 (6) | O8—Si7—C115—C120 | 154.1 (4) |
| O4—Si3—C55—C60 | −108.5 (5) | O7—Si7—C115—C120 | 29.8 (5) |
| C49—Si3—C55—C60 | 132.4 (5) | C109—Si7—C115—C120 | −87.2 (5) |
| O3—Si3—C55—C56 | −178.1 (4) | O8—Si7—C115—C116 | −29.1 (6) |
| O4—Si3—C55—C56 | 66.2 (5) | O7—Si7—C115—C116 | −153.5 (5) |
| C49—Si3—C55—C56 | −52.9 (5) | C109—Si7—C115—C116 | 89.6 (6) |
| C60—C55—C56—C57 | −2.8 (9) | C120—C115—C116—C117 | −0.8 (11) |
| Si3—C55—C56—C57 | −177.9 (5) | Si7—C115—C116—C117 | −177.8 (7) |
| C55—C56—C57—C58 | 0.4 (10) | C115—C116—C117—C118 | 0.6 (13) |
| C56—C57—C58—C59 | 0.8 (11) | C116—C117—C118—C119 | −0.1 (12) |
| C57—C58—C59—C60 | 0.4 (12) | C117—C118—C119—C120 | −0.1 (10) |
| C56—C55—C60—C59 | 4.0 (10) | C116—C115—C120—C119 | 0.6 (9) |
| Si3—C55—C60—C59 | 179.0 (6) | Si7—C115—C120—C119 | 177.5 (5) |
| C58—C59—C60—C55 | −3.0 (12) | C118—C119—C120—C115 | −0.1 (10) |
| O3—Si4—C31—C32 | −6.4 (5) | O7—Si8—C91—C96 | −55.1 (5) |
| C37—Si4—C31—C32 | 112.6 (5) | C97—Si8—C91—C96 | 66.3 (5) |
| C43—Si4—C31—C32 | −124.7 (5) | C103—Si8—C91—C96 | −173.0 (4) |
| O3—Si4—C31—C36 | 168.4 (5) | O7—Si8—C91—C92 | 125.6 (5) |
| C37—Si4—C31—C36 | −72.5 (5) | C97—Si8—C91—C92 | −113.1 (5) |
| C43—Si4—C31—C36 | 50.1 (5) | C103—Si8—C91—C92 | 7.6 (6) |
| C36—C31—C32—C33 | −0.1 (9) | C96—C91—C92—C93 | −3.8 (9) |
| Si4—C31—C32—C33 | 174.9 (5) | Si8—C91—C92—C93 | 175.5 (5) |
| C31—C32—C33—C34 | −0.8 (10) | C91—C92—C93—C94 | −1.4 (11) |
| C32—C33—C34—C35 | 1.9 (10) | C92—C93—C94—C95 | 5.4 (11) |
| C33—C34—C35—C36 | −2.2 (10) | C93—C94—C95—C96 | −4.0 (10) |
| C34—C35—C36—C31 | 1.3 (11) | C94—C95—C96—C91 | −1.4 (9) |
| C32—C31—C36—C35 | −0.2 (9) | C92—C91—C96—C95 | 5.2 (8) |
| Si4—C31—C36—C35 | −175.3 (5) | Si8—C91—C96—C95 | −174.1 (4) |
| O3—Si4—C37—C42 | 8.2 (5) | O7—Si8—C97—C98 | −51.2 (4) |
| C31—Si4—C37—C42 | −110.0 (4) | C91—Si8—C97—C98 | −172.4 (3) |
| C43—Si4—C37—C42 | 128.6 (4) | C103—Si8—C97—C98 | 65.9 (4) |
| O3—Si4—C37—C38 | −170.8 (4) | O7—Si8—C97—C102 | 129.6 (4) |
| C31—Si4—C37—C38 | 71.0 (5) | C91—Si8—C97—C102 | 8.4 (5) |
| C43—Si4—C37—C38 | −50.4 (5) | C103—Si8—C97—C102 | −113.3 (4) |
| C42—C37—C38—C39 | 3.9 (8) | C102—C97—C98—C99 | 0.7 (7) |
| Si4—C37—C38—C39 | −177.0 (5) | Si8—C97—C98—C99 | −178.6 (3) |
| C37—C38—C39—C40 | −1.8 (9) | C97—C98—C99—C100 | −0.4 (7) |
| C38—C39—C40—C41 | −0.7 (10) | C98—C99—C100—C101 | −0.4 (7) |
| C39—C40—C41—C42 | 0.8 (9) | C99—C100—C101—C102 | 0.9 (7) |
| C40—C41—C42—C37 | 1.5 (8) | C100—C101—C102—C97 | −0.6 (8) |
| C38—C37—C42—C41 | −3.8 (8) | C98—C97—C102—C101 | −0.1 (7) |
| Si4—C37—C42—C41 | 177.2 (4) | Si8—C97—C102—C101 | 179.1 (4) |
| O3—Si4—C43—C44 | −80.0 (5) | O7—Si8—C103—C108 | −19.1 (5) |
| C31—Si4—C43—C44 | 36.0 (6) | C91—Si8—C103—C108 | 100.9 (5) |
| C37—Si4—C43—C44 | 160.9 (5) | C97—Si8—C103—C108 | −138.5 (5) |
| O3—Si4—C43—C48 | 97.7 (5) | O7—Si8—C103—C104 | 158.6 (4) |
| C31—Si4—C43—C48 | −146.3 (5) | C91—Si8—C103—C104 | −81.4 (5) |
| C37—Si4—C43—C48 | −21.4 (6) | C97—Si8—C103—C104 | 39.2 (5) |
| C48—C43—C44—C45 | −1.9 (10) | C108—C103—C104—C105 | −1.4 (8) |
| Si4—C43—C44—C45 | 175.9 (6) | Si8—C103—C104—C105 | −179.2 (4) |
| C43—C44—C45—C46 | 1.3 (13) | C103—C104—C105—C106 | 2.4 (8) |
| C44—C45—C46—C47 | 1.4 (14) | C104—C105—C106—C107 | −2.5 (9) |
| C45—C46—C47—C48 | −3.3 (13) | C105—C106—C107—C108 | 1.5 (9) |
| C44—C43—C48—C47 | 0.0 (10) | C106—C107—C108—C103 | −0.5 (9) |
| Si4—C43—C48—C47 | −177.8 (5) | C104—C103—C108—C107 | 0.4 (8) |
| C46—C47—C48—C43 | 2.7 (12) | Si8—C103—C108—C107 | 178.2 (4) |
| H··· | ||||
| O6—H6A···O2 | 0.84 | 2.03 | 2.785 (5) | 149 |
| O8—H8A···O4i | 0.84 | 1.94 | 2.735 (5) | 158 |
| O2—H2···Cg(C67-C72) | 0.84 | 2.66 | 3.355 (5) | 142 |
| O4—H4A···Cg(C97-C102) | 0.84 | 2.61 | 3.249 (5) | 134 |
Hydrogen-bond geometry (Å, °)
| H⋯ | ||||
|---|---|---|---|---|
| O6—H6 | 0.84 | 2.03 | 2.785 (5) | 149 |
| O8—H8 | 0.84 | 1.94 | 2.735 (5) | 158 |
| O2—H2⋯ | 0.84 | 2.66 | 3.355 (5) | 142 |
| O4—H4 | 0.84 | 2.61 | 3.249 (5) | 134 |
Symmetry code: (i) .