| Literature DB >> 21588636 |
Ljuba Iovkova-Berends1, Christina Dietz, Klaus Jurkschat.
Abstract
The asymmetric unit of the title compound, C(15)H(25)FOSi, contains two independent mol-ecules. Each of the Si atoms approximates the expected tetra-hedral geometry with Si-F bond lengths of 1.6128 (11) and 1.6068 (11) Å in the two independent mol-ecules. In the crystal, supra-molecular chains along a are found mediated by O-H⋯O hydrogen bonds.Entities:
Year: 2010 PMID: 21588636 PMCID: PMC3007959 DOI: 10.1107/S160053681003148X
Source DB: PubMed Journal: Acta Crystallogr Sect E Struct Rep Online ISSN: 1600-5368
| C15H25FOSi | |
| Triclinic, | Melting point: 355 K |
| Mo | |
| Cell parameters from 5698 reflections | |
| θ = 2.5–25.5° | |
| α = 103.581 (5)° | µ = 0.15 mm−1 |
| β = 101.553 (5)° | |
| γ = 107.487 (5)° | Block, colourless |
| 0.26 × 0.14 × 0.12 mm | |
| Xcalibur2 CCD diffractometer | 5698 independent reflections |
| Radiation source: Enhance (Mo) X-ray Source | 3074 reflections with |
| graphite | |
| Detector resolution: 16.0560 pixels mm-1 | θmax = 25.5°, θmin = 2.5° |
| 489 frames via ω–rotation (Δω = 1°) and two times 40 s per frame (8 sets at different κ–angles) scans | |
| Absorption correction: multi-scan ( | |
| 5698 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 atoms treated by a mixture of independent and constrained refinement | |
| 5698 reflections | (Δ/σ)max = 0.001 |
| 337 parameters | Δρmax = 0.27 e Å−3 |
| 0 restraints | Δρmin = −0.24 e Å−3 |
| 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 |
| Occ. (<1) | |||||
| Si1 | 0.21087 (9) | 0.53468 (5) | 0.86407 (4) | 0.02174 (17) | |
| Si2 | 0.14914 (9) | −0.00184 (5) | 0.27572 (4) | 0.02178 (17) | |
| F1 | 0.20462 (15) | 0.44023 (10) | 0.91521 (7) | 0.0292 (3) | |
| F2 | 0.05148 (16) | −0.13240 (9) | 0.28033 (7) | 0.0329 (3) | |
| O7 | 0.5783 (3) | 0.43277 (19) | 0.53749 (11) | 0.0423 (6) | |
| O27 | −0.1288 (3) | 0.40525 (16) | 0.50475 (12) | 0.0451 (6) | |
| H7A | 0.660 (6) | 0.441 (4) | 0.525 (3) | 0.026* | 0.50 |
| H27A | −0.074 (5) | 0.456 (3) | 0.492 (3) | 0.025* | 0.50 |
| H7B | 0.519 (6) | 0.447 (4) | 0.510 (3) | 0.017* | 0.50 |
| H27B | −0.213 (6) | 0.408 (3) | 0.520 (2) | 0.015* | 0.50 |
| C1 | 0.2944 (3) | 0.48053 (18) | 0.77482 (12) | 0.0195 (5) | |
| C2 | 0.3008 (3) | 0.36675 (18) | 0.75402 (12) | 0.0233 (5) | |
| H2A | 0.2634 | 0.3177 | 0.7855 | 0.028* | |
| C3 | 0.3610 (3) | 0.32447 (18) | 0.68797 (13) | 0.0259 (6) | |
| H3A | 0.3619 | 0.2475 | 0.6755 | 0.031* | |
| C4 | 0.4204 (3) | 0.39537 (19) | 0.64003 (12) | 0.0215 (5) | |
| C5 | 0.4156 (3) | 0.50816 (19) | 0.65974 (13) | 0.0296 (6) | |
| H5A | 0.4551 | 0.5573 | 0.6286 | 0.035* | |
| C6 | 0.3529 (3) | 0.54993 (18) | 0.72536 (13) | 0.0280 (6) | |
| H6A | 0.3498 | 0.6263 | 0.7367 | 0.034* | |
| C7 | 0.4856 (3) | 0.3454 (2) | 0.56882 (13) | 0.0325 (6) | |
| H7D | 0.5621 | 0.3055 | 0.5882 | 0.039* | |
| H7C | 0.3856 | 0.2862 | 0.5234 | 0.039* | |
| C11 | −0.0251 (3) | 0.51978 (18) | 0.82264 (13) | 0.0239 (5) | |
| C12 | −0.1355 (3) | 0.38556 (19) | 0.78331 (14) | 0.0375 (6) | |
| H12A | −0.2566 | 0.3745 | 0.7601 | 0.056* | |
| H12B | −0.1266 | 0.3472 | 0.8258 | 0.056* | |
| H12C | −0.0923 | 0.3513 | 0.7395 | 0.056* | |
| C13 | −0.0466 (3) | 0.5789 (2) | 0.75359 (14) | 0.0400 (7) | |
| H13A | −0.1687 | 0.5664 | 0.7317 | 0.060* | |
| H13B | −0.0053 | 0.5444 | 0.7091 | 0.060* | |
| H13C | 0.0207 | 0.6629 | 0.7769 | 0.060* | |
| C14 | −0.0985 (3) | 0.5731 (2) | 0.89152 (14) | 0.0403 (7) | |
| H14A | −0.2219 | 0.5556 | 0.8681 | 0.060* | |
| H14B | −0.0373 | 0.6579 | 0.9133 | 0.060* | |
| H14C | −0.0823 | 0.5391 | 0.9361 | 0.060* | |
| C15 | 0.3711 (3) | 0.68180 (18) | 0.94140 (13) | 0.0271 (6) | |
| C16 | 0.5595 (3) | 0.6837 (2) | 0.94900 (14) | 0.0395 (6) | |
| H16A | 0.6419 | 0.7539 | 0.9930 | 0.059* | |
| H16B | 0.5850 | 0.6840 | 0.8967 | 0.059* | |
| H16C | 0.5691 | 0.6142 | 0.9620 | 0.059* | |
| C17 | 0.3552 (3) | 0.78949 (19) | 0.91528 (14) | 0.0437 (7) | |
| H17A | 0.4439 | 0.8614 | 0.9551 | 0.066* | |
| H17B | 0.2407 | 0.7923 | 0.9140 | 0.066* | |
| H17C | 0.3710 | 0.7820 | 0.8604 | 0.066* | |
| C18 | 0.3433 (3) | 0.6950 (2) | 1.02885 (13) | 0.0445 (7) | |
| H18A | 0.4252 | 0.7703 | 1.0676 | 0.067* | |
| H18B | 0.3620 | 0.6317 | 1.0479 | 0.067* | |
| H18C | 0.2251 | 0.6914 | 1.0256 | 0.067* | |
| C21 | 0.0847 (3) | 0.09866 (18) | 0.35247 (12) | 0.0212 (5) | |
| C22 | −0.0082 (3) | 0.05502 (19) | 0.40438 (13) | 0.0285 (6) | |
| H22 | −0.0377 | −0.0251 | 0.4002 | 0.034* | |
| C23 | −0.0583 (3) | 0.1263 (2) | 0.46184 (13) | 0.0319 (6) | |
| H23 | −0.1194 | 0.0935 | 0.4957 | 0.038* | |
| C24 | −0.0194 (3) | 0.24503 (19) | 0.47002 (13) | 0.0251 (6) | |
| C25 | 0.0705 (3) | 0.29039 (19) | 0.41831 (13) | 0.0320 (6) | |
| H25 | 0.0965 | 0.3700 | 0.4218 | 0.038* | |
| C26 | 0.1225 (3) | 0.21910 (18) | 0.36147 (12) | 0.0276 (6) | |
| H26 | 0.1846 | 0.2525 | 0.3281 | 0.033* | |
| C27 | −0.0724 (3) | 0.3224 (2) | 0.53407 (14) | 0.0399 (7) | |
| H27C | −0.1666 | 0.2721 | 0.5495 | 0.048* | |
| H27D | 0.0272 | 0.3648 | 0.5843 | 0.048* | |
| C31 | 0.0532 (3) | −0.00873 (18) | 0.16479 (12) | 0.0264 (5) | |
| C32 | 0.1582 (3) | 0.0998 (2) | 0.14295 (13) | 0.0487 (7) | |
| H32A | 0.2772 | 0.1034 | 0.1497 | 0.073* | |
| H32B | 0.1581 | 0.1713 | 0.1798 | 0.073* | |
| H32C | 0.1046 | 0.0922 | 0.0858 | 0.073* | |
| C33 | −0.1372 (3) | −0.0130 (2) | 0.15359 (14) | 0.0466 (7) | |
| H33A | −0.2040 | −0.0803 | 0.1671 | 0.070* | |
| H33B | −0.1898 | −0.0203 | 0.0963 | 0.070* | |
| H33C | −0.1363 | 0.0589 | 0.1904 | 0.070* | |
| C34 | 0.0475 (3) | −0.1222 (2) | 0.10223 (13) | 0.0426 (7) | |
| H34A | −0.0180 | −0.1908 | 0.1149 | 0.064* | |
| H34B | 0.1654 | −0.1200 | 0.1067 | 0.064* | |
| H34C | −0.0084 | −0.1268 | 0.0461 | 0.064* | |
| C35 | 0.3920 (3) | 0.02815 (18) | 0.31370 (12) | 0.0226 (5) | |
| C36 | 0.4563 (3) | −0.0465 (2) | 0.25128 (14) | 0.0396 (7) | |
| H36A | 0.3878 | −0.1295 | 0.2381 | 0.059* | |
| H36B | 0.5781 | −0.0321 | 0.2758 | 0.059* | |
| H36C | 0.4432 | −0.0247 | 0.2007 | 0.059* | |
| C37 | 0.5025 (3) | 0.15982 (19) | 0.33339 (14) | 0.0395 (6) | |
| H37A | 0.4636 | 0.2078 | 0.3725 | 0.059* | |
| H37B | 0.4888 | 0.1806 | 0.2825 | 0.059* | |
| H37C | 0.6243 | 0.1736 | 0.3575 | 0.059* | |
| C38 | 0.4238 (3) | −0.0041 (2) | 0.39535 (14) | 0.0447 (7) | |
| H38A | 0.3555 | −0.0865 | 0.3842 | 0.067* | |
| H38B | 0.3894 | 0.0445 | 0.4363 | 0.067* | |
| H38C | 0.5466 | 0.0098 | 0.4166 | 0.067* |
| Si1 | 0.0253 (4) | 0.0237 (4) | 0.0206 (4) | 0.0121 (3) | 0.0116 (3) | 0.0066 (3) |
| Si2 | 0.0236 (4) | 0.0189 (4) | 0.0209 (4) | 0.0072 (3) | 0.0062 (3) | 0.0039 (3) |
| F1 | 0.0361 (9) | 0.0327 (7) | 0.0269 (7) | 0.0165 (7) | 0.0139 (7) | 0.0150 (6) |
| F2 | 0.0346 (9) | 0.0207 (7) | 0.0438 (8) | 0.0079 (7) | 0.0158 (7) | 0.0103 (6) |
| O7 | 0.0370 (15) | 0.0663 (13) | 0.0395 (13) | 0.0232 (11) | 0.0288 (11) | 0.0246 (10) |
| O27 | 0.0452 (14) | 0.0305 (12) | 0.0754 (15) | 0.0197 (11) | 0.0415 (12) | 0.0170 (10) |
| C1 | 0.0163 (13) | 0.0234 (13) | 0.0196 (12) | 0.0072 (11) | 0.0062 (11) | 0.0073 (10) |
| C2 | 0.0263 (15) | 0.0230 (13) | 0.0254 (13) | 0.0091 (12) | 0.0149 (12) | 0.0101 (11) |
| C3 | 0.0264 (15) | 0.0213 (13) | 0.0298 (14) | 0.0102 (12) | 0.0106 (12) | 0.0035 (11) |
| C4 | 0.0155 (14) | 0.0312 (14) | 0.0190 (12) | 0.0107 (11) | 0.0070 (11) | 0.0053 (11) |
| C5 | 0.0349 (16) | 0.0336 (15) | 0.0322 (14) | 0.0161 (13) | 0.0205 (13) | 0.0182 (12) |
| C6 | 0.0383 (17) | 0.0234 (13) | 0.0294 (14) | 0.0173 (13) | 0.0163 (13) | 0.0076 (11) |
| C7 | 0.0378 (17) | 0.0440 (16) | 0.0269 (14) | 0.0253 (14) | 0.0162 (13) | 0.0121 (12) |
| C11 | 0.0287 (15) | 0.0222 (13) | 0.0260 (13) | 0.0137 (12) | 0.0116 (12) | 0.0084 (11) |
| C12 | 0.0235 (16) | 0.0381 (16) | 0.0454 (16) | 0.0085 (13) | 0.0065 (13) | 0.0101 (13) |
| C13 | 0.0327 (17) | 0.0486 (17) | 0.0431 (16) | 0.0206 (14) | 0.0060 (14) | 0.0189 (14) |
| C14 | 0.0360 (18) | 0.0456 (16) | 0.0499 (17) | 0.0237 (14) | 0.0239 (15) | 0.0130 (13) |
| C15 | 0.0295 (15) | 0.0238 (13) | 0.0273 (14) | 0.0099 (12) | 0.0124 (12) | 0.0031 (11) |
| C16 | 0.0307 (17) | 0.0383 (15) | 0.0377 (15) | 0.0089 (13) | 0.0068 (13) | −0.0017 (12) |
| C17 | 0.0462 (19) | 0.0288 (15) | 0.0499 (17) | 0.0106 (14) | 0.0173 (15) | 0.0025 (13) |
| C18 | 0.0477 (19) | 0.0450 (17) | 0.0286 (15) | 0.0115 (15) | 0.0133 (14) | −0.0050 (12) |
| C21 | 0.0217 (14) | 0.0258 (14) | 0.0173 (12) | 0.0109 (11) | 0.0037 (11) | 0.0077 (10) |
| C22 | 0.0283 (15) | 0.0249 (13) | 0.0330 (14) | 0.0096 (12) | 0.0092 (13) | 0.0103 (12) |
| C23 | 0.0263 (16) | 0.0484 (17) | 0.0275 (14) | 0.0163 (13) | 0.0134 (13) | 0.0158 (13) |
| C24 | 0.0247 (15) | 0.0349 (15) | 0.0202 (13) | 0.0178 (12) | 0.0072 (12) | 0.0071 (11) |
| C25 | 0.0435 (17) | 0.0268 (14) | 0.0307 (14) | 0.0189 (13) | 0.0142 (13) | 0.0070 (12) |
| C26 | 0.0383 (17) | 0.0277 (15) | 0.0234 (13) | 0.0133 (13) | 0.0169 (13) | 0.0116 (11) |
| C27 | 0.0365 (18) | 0.0518 (17) | 0.0350 (16) | 0.0263 (15) | 0.0126 (14) | 0.0051 (13) |
| C31 | 0.0300 (15) | 0.0261 (14) | 0.0183 (12) | 0.0101 (12) | 0.0023 (11) | 0.0028 (10) |
| C32 | 0.067 (2) | 0.0525 (18) | 0.0264 (15) | 0.0215 (16) | 0.0095 (15) | 0.0157 (13) |
| C33 | 0.0416 (18) | 0.0554 (18) | 0.0326 (15) | 0.0267 (15) | −0.0075 (14) | −0.0004 (13) |
| C34 | 0.0434 (18) | 0.0502 (17) | 0.0240 (14) | 0.0211 (15) | −0.0011 (13) | −0.0029 (12) |
| C35 | 0.0231 (15) | 0.0227 (13) | 0.0200 (13) | 0.0063 (12) | 0.0067 (12) | 0.0055 (10) |
| C36 | 0.0311 (17) | 0.0461 (16) | 0.0456 (16) | 0.0189 (14) | 0.0148 (14) | 0.0123 (13) |
| C37 | 0.0265 (16) | 0.0366 (16) | 0.0409 (16) | 0.0061 (13) | −0.0006 (13) | 0.0022 (12) |
| C38 | 0.0347 (18) | 0.0645 (19) | 0.0401 (16) | 0.0214 (15) | 0.0070 (14) | 0.0247 (14) |
| Si1—F1 | 1.6131 (11) | C16—H16C | 0.9600 |
| Si1—C1 | 1.8677 (19) | C17—H17A | 0.9600 |
| Si1—C15 | 1.885 (2) | C17—H17B | 0.9600 |
| Si1—C11 | 1.886 (2) | C17—H17C | 0.9600 |
| Si2—F2 | 1.6072 (11) | C18—H18A | 0.9600 |
| Si2—C21 | 1.865 (2) | C18—H18B | 0.9600 |
| Si2—C31 | 1.876 (2) | C18—H18C | 0.9600 |
| Si2—C35 | 1.885 (2) | C21—C22 | 1.389 (2) |
| O7—C7 | 1.412 (3) | C21—C26 | 1.394 (3) |
| O7—H7A | 0.74 (5) | C22—C23 | 1.377 (3) |
| O7—H7B | 0.70 (4) | C22—H22 | 0.9300 |
| O27—C27 | 1.402 (3) | C23—C24 | 1.376 (3) |
| O27—H27A | 0.76 (3) | C23—H23 | 0.9300 |
| O27—H27B | 0.80 (4) | C24—C25 | 1.380 (3) |
| C1—C2 | 1.392 (3) | C24—C27 | 1.506 (3) |
| C1—C6 | 1.396 (2) | C25—C26 | 1.381 (3) |
| C2—C3 | 1.382 (2) | C25—H25 | 0.9300 |
| C2—H2A | 0.9300 | C26—H26 | 0.9300 |
| C3—C4 | 1.389 (2) | C27—H27C | 0.9700 |
| C3—H3A | 0.9300 | C27—H27D | 0.9700 |
| C4—C5 | 1.374 (3) | C31—C34 | 1.536 (3) |
| C4—C7 | 1.508 (3) | C31—C32 | 1.540 (3) |
| C5—C6 | 1.387 (3) | C31—C33 | 1.540 (3) |
| C5—H5A | 0.9300 | C32—H32A | 0.9600 |
| C6—H6A | 0.9300 | C32—H32B | 0.9600 |
| C7—H7D | 0.9700 | C32—H32C | 0.9600 |
| C7—H7C | 0.9700 | C33—H33A | 0.9600 |
| C11—C14 | 1.538 (3) | C33—H33B | 0.9600 |
| C11—C13 | 1.538 (3) | C33—H33C | 0.9600 |
| C11—C12 | 1.541 (3) | C34—H34A | 0.9600 |
| C12—H12A | 0.9600 | C34—H34B | 0.9600 |
| C12—H12B | 0.9600 | C34—H34C | 0.9600 |
| C12—H12C | 0.9600 | C35—C37 | 1.530 (3) |
| C13—H13A | 0.9600 | C35—C36 | 1.531 (3) |
| C13—H13B | 0.9600 | C35—C38 | 1.535 (2) |
| C13—H13C | 0.9600 | C36—H36A | 0.9600 |
| C14—H14A | 0.9600 | C36—H36B | 0.9600 |
| C14—H14B | 0.9600 | C36—H36C | 0.9600 |
| C14—H14C | 0.9600 | C37—H37A | 0.9600 |
| C15—C17 | 1.537 (3) | C37—H37B | 0.9600 |
| C15—C18 | 1.538 (3) | C37—H37C | 0.9600 |
| C15—C16 | 1.540 (3) | C38—H38A | 0.9600 |
| C16—H16A | 0.9600 | C38—H38B | 0.9600 |
| C16—H16B | 0.9600 | C38—H38C | 0.9600 |
| F1—Si1—C1 | 104.81 (8) | C15—C17—H17C | 109.5 |
| F1—Si1—C15 | 104.91 (8) | H17A—C17—H17C | 109.5 |
| C1—Si1—C15 | 112.43 (9) | H17B—C17—H17C | 109.5 |
| F1—Si1—C11 | 105.55 (8) | C15—C18—H18A | 109.5 |
| C1—Si1—C11 | 109.86 (9) | C15—C18—H18B | 109.5 |
| C15—Si1—C11 | 118.05 (10) | H18A—C18—H18B | 109.5 |
| F2—Si2—C21 | 104.23 (8) | C15—C18—H18C | 109.5 |
| F2—Si2—C31 | 105.14 (8) | H18A—C18—H18C | 109.5 |
| C21—Si2—C31 | 111.74 (9) | H18B—C18—H18C | 109.5 |
| F2—Si2—C35 | 105.42 (8) | C22—C21—C26 | 115.72 (18) |
| C21—Si2—C35 | 110.49 (10) | C22—C21—Si2 | 120.48 (15) |
| C31—Si2—C35 | 118.46 (9) | C26—C21—Si2 | 123.79 (14) |
| C7—O7—H7A | 131 (3) | C23—C22—C21 | 122.27 (19) |
| C7—O7—H7B | 111 (4) | C23—C22—H22 | 118.9 |
| H7A—O7—H7B | 109 (5) | C21—C22—H22 | 118.9 |
| C27—O27—H27A | 127 (4) | C24—C23—C22 | 121.22 (18) |
| C27—O27—H27B | 108 (3) | C24—C23—H23 | 119.4 |
| H27A—O27—H27B | 122 (5) | C22—C23—H23 | 119.4 |
| C2—C1—C6 | 116.25 (17) | C23—C24—C25 | 117.76 (19) |
| C2—C1—Si1 | 120.95 (14) | C23—C24—C27 | 120.68 (18) |
| C6—C1—Si1 | 122.80 (15) | C25—C24—C27 | 121.56 (19) |
| C3—C2—C1 | 122.00 (17) | C24—C25—C26 | 120.90 (19) |
| C3—C2—H2A | 119.0 | C24—C25—H25 | 119.5 |
| C1—C2—H2A | 119.0 | C26—C25—H25 | 119.5 |
| C2—C3—C4 | 120.86 (19) | C25—C26—C21 | 122.12 (18) |
| C2—C3—H3A | 119.6 | C25—C26—H26 | 118.9 |
| C4—C3—H3A | 119.6 | C21—C26—H26 | 118.9 |
| C5—C4—C3 | 118.02 (17) | O27—C27—C24 | 112.91 (17) |
| C5—C4—C7 | 123.09 (17) | O27—C27—H27C | 109.0 |
| C3—C4—C7 | 118.89 (18) | C24—C27—H27C | 109.0 |
| C4—C5—C6 | 121.05 (18) | O27—C27—H27D | 109.0 |
| C4—C5—H5A | 119.5 | C24—C27—H27D | 109.0 |
| C6—C5—H5A | 119.5 | H27C—C27—H27D | 107.8 |
| C5—C6—C1 | 121.81 (19) | C34—C31—C32 | 108.43 (17) |
| C5—C6—H6A | 119.1 | C34—C31—C33 | 108.07 (19) |
| C1—C6—H6A | 119.1 | C32—C31—C33 | 108.64 (18) |
| O7—C7—C4 | 113.41 (18) | C34—C31—Si2 | 110.55 (14) |
| O7—C7—H7D | 108.9 | C32—C31—Si2 | 112.49 (15) |
| C4—C7—H7D | 108.9 | C33—C31—Si2 | 108.54 (14) |
| O7—C7—H7C | 108.9 | C31—C32—H32A | 109.5 |
| C4—C7—H7C | 108.9 | C31—C32—H32B | 109.5 |
| H7D—C7—H7C | 107.7 | H32A—C32—H32B | 109.5 |
| C14—C11—C13 | 108.45 (17) | C31—C32—H32C | 109.5 |
| C14—C11—C12 | 108.59 (17) | H32A—C32—H32C | 109.5 |
| C13—C11—C12 | 108.09 (18) | H32B—C32—H32C | 109.5 |
| C14—C11—Si1 | 113.09 (15) | C31—C33—H33A | 109.5 |
| C13—C11—Si1 | 111.37 (14) | C31—C33—H33B | 109.5 |
| C12—C11—Si1 | 107.10 (14) | H33A—C33—H33B | 109.5 |
| C11—C12—H12A | 109.5 | C31—C33—H33C | 109.5 |
| C11—C12—H12B | 109.5 | H33A—C33—H33C | 109.5 |
| H12A—C12—H12B | 109.5 | H33B—C33—H33C | 109.5 |
| C11—C12—H12C | 109.5 | C31—C34—H34A | 109.5 |
| H12A—C12—H12C | 109.5 | C31—C34—H34B | 109.5 |
| H12B—C12—H12C | 109.5 | H34A—C34—H34B | 109.5 |
| C11—C13—H13A | 109.5 | C31—C34—H34C | 109.5 |
| C11—C13—H13B | 109.5 | H34A—C34—H34C | 109.5 |
| H13A—C13—H13B | 109.5 | H34B—C34—H34C | 109.5 |
| C11—C13—H13C | 109.5 | C37—C35—C36 | 108.51 (16) |
| H13A—C13—H13C | 109.5 | C37—C35—C38 | 108.29 (18) |
| H13B—C13—H13C | 109.5 | C36—C35—C38 | 108.12 (17) |
| C11—C14—H14A | 109.5 | C37—C35—Si2 | 111.45 (15) |
| C11—C14—H14B | 109.5 | C36—C35—Si2 | 113.31 (15) |
| H14A—C14—H14B | 109.5 | C38—C35—Si2 | 106.99 (13) |
| C11—C14—H14C | 109.5 | C35—C36—H36A | 109.5 |
| H14A—C14—H14C | 109.5 | C35—C36—H36B | 109.5 |
| H14B—C14—H14C | 109.5 | H36A—C36—H36B | 109.5 |
| C17—C15—C18 | 108.54 (17) | C35—C36—H36C | 109.5 |
| C17—C15—C16 | 108.67 (18) | H36A—C36—H36C | 109.5 |
| C18—C15—C16 | 107.65 (19) | H36B—C36—H36C | 109.5 |
| C17—C15—Si1 | 113.11 (16) | C35—C37—H37A | 109.5 |
| C18—C15—Si1 | 110.18 (14) | C35—C37—H37B | 109.5 |
| C16—C15—Si1 | 108.54 (15) | H37A—C37—H37B | 109.5 |
| C15—C16—H16A | 109.5 | C35—C37—H37C | 109.5 |
| C15—C16—H16B | 109.5 | H37A—C37—H37C | 109.5 |
| H16A—C16—H16B | 109.5 | H37B—C37—H37C | 109.5 |
| C15—C16—H16C | 109.5 | C35—C38—H38A | 109.5 |
| H16A—C16—H16C | 109.5 | C35—C38—H38B | 109.5 |
| H16B—C16—H16C | 109.5 | H38A—C38—H38B | 109.5 |
| C15—C17—H17A | 109.5 | C35—C38—H38C | 109.5 |
| C15—C17—H17B | 109.5 | H38A—C38—H38C | 109.5 |
| H17A—C17—H17B | 109.5 | H38B—C38—H38C | 109.5 |
| F1—Si1—C1—C2 | 13.58 (19) | F2—Si2—C21—C22 | 7.40 (19) |
| C15—Si1—C1—C2 | 126.97 (18) | C31—Si2—C21—C22 | 120.43 (18) |
| C11—Si1—C1—C2 | −99.40 (18) | C35—Si2—C21—C22 | −105.41 (18) |
| F1—Si1—C1—C6 | −166.59 (17) | F2—Si2—C21—C26 | −171.79 (17) |
| C15—Si1—C1—C6 | −53.2 (2) | C31—Si2—C21—C26 | −58.8 (2) |
| C11—Si1—C1—C6 | 80.4 (2) | C35—Si2—C21—C26 | 75.4 (2) |
| C6—C1—C2—C3 | −0.2 (3) | C26—C21—C22—C23 | −0.7 (3) |
| Si1—C1—C2—C3 | 179.61 (17) | Si2—C21—C22—C23 | −179.99 (17) |
| C1—C2—C3—C4 | 0.9 (3) | C21—C22—C23—C24 | 0.6 (3) |
| C2—C3—C4—C5 | −0.6 (3) | C22—C23—C24—C25 | 0.4 (3) |
| C2—C3—C4—C7 | 179.7 (2) | C22—C23—C24—C27 | −179.0 (2) |
| C3—C4—C5—C6 | −0.2 (3) | C23—C24—C25—C26 | −1.2 (3) |
| C7—C4—C5—C6 | 179.4 (2) | C27—C24—C25—C26 | 178.2 (2) |
| C4—C5—C6—C1 | 0.9 (3) | C24—C25—C26—C21 | 1.1 (3) |
| C2—C1—C6—C5 | −0.6 (3) | C22—C21—C26—C25 | −0.1 (3) |
| Si1—C1—C6—C5 | 179.53 (17) | Si2—C21—C26—C25 | 179.14 (18) |
| C5—C4—C7—O7 | 14.0 (3) | C23—C24—C27—O27 | −141.9 (2) |
| C3—C4—C7—O7 | −166.4 (2) | C25—C24—C27—O27 | 38.8 (3) |
| F1—Si1—C11—C14 | 72.77 (15) | F2—Si2—C31—C34 | −46.43 (16) |
| C1—Si1—C11—C14 | −174.73 (14) | C21—Si2—C31—C34 | −158.90 (15) |
| C15—Si1—C11—C14 | −44.03 (17) | C35—Si2—C31—C34 | 70.95 (17) |
| F1—Si1—C11—C13 | −164.80 (14) | F2—Si2—C31—C32 | −167.81 (14) |
| C1—Si1—C11—C13 | −52.30 (17) | C21—Si2—C31—C32 | 79.72 (17) |
| C15—Si1—C11—C13 | 78.40 (16) | C35—Si2—C31—C32 | −50.43 (18) |
| F1—Si1—C11—C12 | −46.82 (14) | F2—Si2—C31—C33 | 71.93 (16) |
| C1—Si1—C11—C12 | 65.68 (14) | C21—Si2—C31—C33 | −40.53 (17) |
| C15—Si1—C11—C12 | −163.61 (12) | C35—Si2—C31—C33 | −170.68 (14) |
| F1—Si1—C15—C17 | −162.48 (14) | F2—Si2—C35—C37 | −166.07 (12) |
| C1—Si1—C15—C17 | 84.19 (17) | C21—Si2—C35—C37 | −54.03 (15) |
| C11—Si1—C15—C17 | −45.33 (17) | C31—Si2—C35—C37 | 76.69 (16) |
| F1—Si1—C15—C18 | −40.80 (17) | F2—Si2—C35—C36 | 71.20 (14) |
| C1—Si1—C15—C18 | −154.13 (14) | C21—Si2—C35—C36 | −176.76 (13) |
| C11—Si1—C15—C18 | 76.35 (17) | C31—Si2—C35—C36 | −46.05 (17) |
| F1—Si1—C15—C16 | 76.84 (14) | F2—Si2—C35—C38 | −47.87 (15) |
| C1—Si1—C15—C16 | −36.49 (17) | C21—Si2—C35—C38 | 64.17 (15) |
| C11—Si1—C15—C16 | −166.01 (13) | C31—Si2—C35—C38 | −165.11 (14) |
| H··· | ||||
| O7—H7A···O27i | 0.74 (5) | 2.01 (5) | 2.707 (3) | 157 (5) |
| O27—H27A···O27ii | 0.76 (3) | 2.00 (3) | 2.727 (3) | 160 (5) |
| O7—H7B···O7iii | 0.70 (4) | 2.14 (3) | 2.787 (4) | 154 (5) |
| O27—H27B···O7iv | 0.80 (4) | 1.92 (5) | 2.707 (3) | 167 (4) |
Hydrogen-bond geometry (Å, °)
| H⋯ | ||||
|---|---|---|---|---|
| O7—H7 | 0.74 (5) | 2.01 (5) | 2.707 (3) | 157 (5) |
| O27—H27 | 0.76 (3) | 2.00 (3) | 2.727 (3) | 160 (5) |
| O7—H7 | 0.70 (4) | 2.14 (3) | 2.787 (4) | 154 (5) |
| O27—H27 | 0.80 (4) | 1.92 (5) | 2.707 (3) | 167 (4) |
Symmetry codes: (i) ; (ii) ; (iii) ; (iv) .