| Literature DB >> 21588415 |
H K Arun Kashi, B S Palakshamurthy, M Vinduvahini, H T Srinivasa, H C Devarajegowda.
Abstract
In the title compound, C(31)H(38)O(3), the central benzene ring makes dihedral angles of 66.06 (9) and 65.21 (8)°, respectively, with the benzyl and 4-decyl-phenyl rings.Entities:
Year: 2010 PMID: 21588415 PMCID: PMC3007531 DOI: 10.1107/S1600536810028965
Source DB: PubMed Journal: Acta Crystallogr Sect E Struct Rep Online ISSN: 1600-5368
| C31H38O3 | |
| Triclinic, | |
| Hall symbol: -P 1 | Melting point: 339 K |
| Mo | |
| Cell parameters from 6737 reflections | |
| θ = 1.5–28.5° | |
| α = 68.588 (11)° | µ = 0.07 mm−1 |
| β = 87.274 (11)° | |
| γ = 65.578 (10)° | Plate, colourless |
| 0.22 × 0.15 × 0.12 mm |
| Bruker SMART CCD area-detector diffractometer | 6737 independent reflections |
| Radiation source: fine-focus sealed tube | 3840 reflections with |
| graphite | |
| ω and φ scans | θmax = 28.5°, θmin = 1.5° |
| Absorption correction: ψ scan ( | |
| 23986 measured reflections |
| Refinement on | Secondary atom site location: difference Fourier map |
| Least-squares matrix: full | Hydrogen site location: inferred from neighbouring sites |
| H-atom parameters constrained | |
| (Δ/σ)max < 0.001 | |
| 6737 reflections | Δρmax = 0.37 e Å−3 |
| 308 parameters | Δρmin = −0.28 e Å−3 |
| 6 restraints | Extinction correction: |
| Primary atom site location: structure-invariant direct methods | Extinction coefficient: 0.009 (2) |
| Geometry. All s.u.'s (except the s.u. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell s.u.'s are taken into account individually in the estimation of s.u.'s in distances, angles and torsion angles; correlations between s.u.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell s.u.'s is used for estimating s.u.'s involving l.s. planes. |
| Refinement. Refinement of |
| O1 | 1.29391 (13) | 0.71764 (13) | 0.39798 (8) | 0.0596 (3) | |
| O2 | 0.76009 (16) | 0.85364 (16) | 0.66658 (10) | 0.0782 (4) | |
| O3 | 0.66987 (13) | 0.76081 (12) | 0.58579 (8) | 0.0587 (3) | |
| C1 | 1.7436 (2) | 0.6890 (3) | 0.21401 (16) | 0.0773 (6) | |
| H1 | 1.8161 | 0.6725 | 0.1710 | 0.093* | |
| C2 | 1.7328 (2) | 0.5776 (2) | 0.28609 (18) | 0.0808 (6) | |
| H2 | 1.7987 | 0.4849 | 0.2926 | 0.097* | |
| C3 | 1.6246 (2) | 0.6016 (2) | 0.34940 (15) | 0.0734 (5) | |
| H3 | 1.6178 | 0.5249 | 0.3983 | 0.088* | |
| C4 | 1.52641 (19) | 0.73813 (19) | 0.34098 (13) | 0.0563 (4) | |
| C5 | 1.5386 (2) | 0.85005 (19) | 0.26763 (14) | 0.0654 (5) | |
| H5 | 1.4728 | 0.9431 | 0.2605 | 0.078* | |
| C6 | 1.6476 (2) | 0.8246 (2) | 0.20518 (15) | 0.0770 (6) | |
| H6 | 1.6560 | 0.9006 | 0.1565 | 0.092* | |
| C8 | 1.16997 (18) | 0.74083 (16) | 0.45050 (11) | 0.0493 (4) | |
| C7 | 1.4092 (2) | 0.7663 (2) | 0.40939 (14) | 0.0703 (5) | |
| H7A | 1.4619 | 0.7163 | 0.4741 | 0.084* | |
| H7B | 1.3582 | 0.8672 | 0.3967 | 0.084* | |
| C9 | 1.05899 (18) | 0.69493 (15) | 0.43409 (11) | 0.0478 (4) | |
| C10 | 0.93050 (18) | 0.71552 (16) | 0.48486 (11) | 0.0490 (4) | |
| H10 | 0.8552 | 0.6864 | 0.4746 | 0.059* | |
| C11 | 0.91080 (18) | 0.77889 (16) | 0.55122 (11) | 0.0493 (4) | |
| C12 | 1.0225 (2) | 0.82287 (19) | 0.56523 (12) | 0.0578 (4) | |
| H12 | 1.0102 | 0.8657 | 0.6090 | 0.069* | |
| C13 | 1.1519 (2) | 0.80452 (19) | 0.51555 (12) | 0.0589 (4) | |
| H13 | 1.2262 | 0.8347 | 0.5257 | 0.071* | |
| C14 | 1.0830 (2) | 0.6250 (2) | 0.36370 (14) | 0.0680 (5) | |
| H14A | 1.1784 | 0.6208 | 0.3362 | 0.102* | |
| H14B | 0.9950 | 0.6789 | 0.3144 | 0.102* | |
| H14C | 1.0908 | 0.5304 | 0.3955 | 0.102* | |
| C15 | 0.77674 (19) | 0.80247 (17) | 0.60752 (12) | 0.0538 (4) | |
| C16 | 0.53999 (18) | 0.77559 (18) | 0.63921 (11) | 0.0512 (4) | |
| C17 | 0.5292 (2) | 0.65529 (18) | 0.70043 (13) | 0.0611 (5) | |
| H17 | 0.6060 | 0.5660 | 0.7067 | 0.073* | |
| C18 | 0.4030 (2) | 0.66829 (18) | 0.75268 (13) | 0.0604 (4) | |
| H18 | 0.3958 | 0.5864 | 0.7943 | 0.072* | |
| C19 | 0.28666 (19) | 0.79952 (17) | 0.74503 (11) | 0.0501 (4) | |
| C20 | 0.30000 (19) | 0.91846 (17) | 0.68052 (12) | 0.0561 (4) | |
| H20 | 0.2225 | 1.0082 | 0.6727 | 0.067* | |
| C21 | 0.42535 (19) | 0.90750 (18) | 0.62747 (12) | 0.0553 (4) | |
| H21 | 0.4318 | 0.9888 | 0.5843 | 0.066* | |
| C22 | 0.1539 (2) | 0.80822 (18) | 0.80631 (13) | 0.0608 (4) | |
| H22A | 0.0896 | 0.7711 | 0.7865 | 0.073* | |
| H22B | 0.1997 | 0.7462 | 0.8716 | 0.073* | |
| C23 | 0.0474 (2) | 0.95323 (19) | 0.80478 (13) | 0.0612 (5) | |
| H23A | −0.0087 | 1.0130 | 0.7413 | 0.073* | |
| H23B | 0.1116 | 0.9952 | 0.8184 | 0.073* | |
| C24 | −0.0723 (2) | 0.9519 (2) | 0.87570 (13) | 0.0650 (5) | |
| H24A | −0.1399 | 0.9143 | 0.8601 | 0.078* | |
| H24B | −0.0164 | 0.8883 | 0.9388 | 0.078* | |
| C25 | −0.1748 (2) | 1.0969 (2) | 0.87793 (13) | 0.0634 (5) | |
| H25A | −0.2347 | 1.1594 | 0.8157 | 0.076* | |
| H25B | −0.1073 | 1.1365 | 0.8908 | 0.076* | |
| C26 | −0.2886 (2) | 1.0926 (2) | 0.95230 (13) | 0.0632 (5) | |
| H26A | −0.3508 | 1.0468 | 0.9419 | 0.076* | |
| H26B | −0.2280 | 1.0347 | 1.0147 | 0.076* | |
| C27 | −0.4000 (2) | 1.23739 (19) | 0.95192 (13) | 0.0639 (5) | |
| H27A | −0.3383 | 1.2817 | 0.9654 | 0.077* | |
| H27B | −0.4578 | 1.2970 | 0.8889 | 0.077* | |
| C28 | −0.5169 (2) | 1.23037 (19) | 1.02399 (13) | 0.0641 (5) | |
| H28A | −0.5745 | 1.1819 | 1.0119 | 0.077* | |
| H28B | −0.4582 | 1.1731 | 1.0870 | 0.077* | |
| C29 | −0.6347 (2) | 1.3720 (2) | 1.02406 (14) | 0.0687 (5) | |
| H29A | −0.5781 | 1.4193 | 1.0389 | 0.082* | |
| H29B | −0.6917 | 1.4310 | 0.9607 | 0.082* | |
| C30 | −0.7516 (2) | 1.3592 (2) | 1.09440 (16) | 0.0803 (6) | |
| H30A | −0.6939 | 1.2939 | 1.1567 | 0.096* | |
| H30B | −0.8133 | 1.3183 | 1.0764 | 0.096* | |
| C31 | −0.8634 (3) | 1.4982 (3) | 1.1015 (2) | 0.1154 (9) | |
| H31A | −0.9338 | 1.4814 | 1.1475 | 0.173* | |
| H31B | −0.9235 | 1.5629 | 1.0406 | 0.173* | |
| H31C | −0.8039 | 1.5386 | 1.1210 | 0.173* |
| O1 | 0.0546 (7) | 0.0750 (8) | 0.0666 (7) | −0.0390 (6) | 0.0209 (6) | −0.0339 (6) |
| O2 | 0.0796 (9) | 0.1107 (11) | 0.0799 (9) | −0.0556 (8) | 0.0335 (7) | −0.0593 (9) |
| O3 | 0.0524 (7) | 0.0696 (7) | 0.0669 (7) | −0.0305 (6) | 0.0233 (6) | −0.0365 (6) |
| C1 | 0.0557 (11) | 0.0991 (17) | 0.0911 (15) | −0.0335 (11) | 0.0254 (10) | −0.0522 (14) |
| C2 | 0.0535 (11) | 0.0668 (13) | 0.1176 (18) | −0.0144 (10) | 0.0078 (12) | −0.0426 (13) |
| C3 | 0.0661 (12) | 0.0579 (11) | 0.0869 (14) | −0.0293 (10) | 0.0077 (11) | −0.0141 (10) |
| C4 | 0.0497 (9) | 0.0661 (11) | 0.0632 (10) | −0.0336 (8) | 0.0118 (8) | −0.0257 (9) |
| C5 | 0.0630 (11) | 0.0566 (10) | 0.0798 (12) | −0.0285 (9) | 0.0197 (10) | −0.0272 (10) |
| C6 | 0.0774 (13) | 0.0784 (14) | 0.0781 (13) | −0.0423 (11) | 0.0282 (11) | −0.0246 (11) |
| C8 | 0.0475 (8) | 0.0491 (9) | 0.0492 (9) | −0.0228 (7) | 0.0098 (7) | −0.0143 (7) |
| C7 | 0.0669 (11) | 0.0982 (15) | 0.0767 (12) | −0.0548 (11) | 0.0256 (10) | −0.0456 (11) |
| C9 | 0.0482 (8) | 0.0435 (8) | 0.0505 (9) | −0.0206 (7) | 0.0084 (7) | −0.0156 (7) |
| C10 | 0.0464 (8) | 0.0461 (8) | 0.0543 (9) | −0.0219 (7) | 0.0086 (7) | −0.0167 (7) |
| C11 | 0.0470 (8) | 0.0468 (9) | 0.0483 (9) | −0.0183 (7) | 0.0071 (7) | −0.0138 (7) |
| C12 | 0.0614 (10) | 0.0672 (11) | 0.0534 (9) | −0.0313 (9) | 0.0119 (8) | −0.0283 (8) |
| C13 | 0.0579 (10) | 0.0720 (11) | 0.0612 (10) | −0.0376 (9) | 0.0123 (8) | −0.0297 (9) |
| C14 | 0.0688 (11) | 0.0793 (12) | 0.0822 (13) | −0.0439 (10) | 0.0274 (10) | −0.0466 (11) |
| C15 | 0.0533 (9) | 0.0544 (10) | 0.0533 (9) | −0.0239 (8) | 0.0114 (8) | −0.0193 (8) |
| C16 | 0.0487 (9) | 0.0589 (10) | 0.0524 (9) | −0.0245 (8) | 0.0147 (7) | −0.0272 (8) |
| C17 | 0.0562 (10) | 0.0496 (10) | 0.0747 (12) | −0.0189 (8) | 0.0180 (9) | −0.0260 (9) |
| C18 | 0.0635 (11) | 0.0488 (9) | 0.0668 (11) | −0.0254 (8) | 0.0186 (9) | −0.0191 (8) |
| C19 | 0.0526 (9) | 0.0529 (9) | 0.0463 (8) | −0.0235 (8) | 0.0113 (7) | −0.0200 (7) |
| C20 | 0.0555 (10) | 0.0482 (9) | 0.0569 (10) | −0.0177 (8) | 0.0141 (8) | −0.0176 (8) |
| C21 | 0.0565 (10) | 0.0521 (9) | 0.0539 (9) | −0.0239 (8) | 0.0157 (8) | −0.0165 (8) |
| C22 | 0.0629 (10) | 0.0609 (10) | 0.0570 (10) | −0.0274 (9) | 0.0208 (8) | −0.0212 (8) |
| C23 | 0.0589 (10) | 0.0642 (11) | 0.0607 (10) | −0.0265 (9) | 0.0209 (8) | −0.0252 (9) |
| C24 | 0.0634 (11) | 0.0686 (12) | 0.0645 (11) | −0.0301 (9) | 0.0266 (9) | −0.0268 (9) |
| C25 | 0.0613 (10) | 0.0698 (12) | 0.0623 (10) | −0.0303 (9) | 0.0229 (9) | −0.0275 (9) |
| C26 | 0.0605 (10) | 0.0658 (11) | 0.0616 (10) | −0.0261 (9) | 0.0214 (9) | −0.0249 (9) |
| C27 | 0.0634 (11) | 0.0632 (11) | 0.0679 (11) | −0.0285 (9) | 0.0213 (9) | −0.0275 (9) |
| C28 | 0.0654 (11) | 0.0616 (11) | 0.0658 (11) | −0.0271 (9) | 0.0217 (9) | −0.0261 (9) |
| C29 | 0.0682 (12) | 0.0637 (11) | 0.0731 (12) | −0.0270 (9) | 0.0228 (10) | −0.0279 (10) |
| C30 | 0.0715 (12) | 0.0821 (14) | 0.0890 (14) | −0.0307 (11) | 0.0319 (11) | −0.0393 (12) |
| C31 | 0.0906 (17) | 0.108 (2) | 0.138 (2) | −0.0207 (15) | 0.0451 (16) | −0.0656 (18) |
| O1—C8 | 1.3664 (18) | C18—C19 | 1.384 (2) |
| O1—C7 | 1.436 (2) | C18—H18 | 0.9300 |
| O2—C15 | 1.2021 (19) | C19—C20 | 1.384 (2) |
| O3—C15 | 1.363 (2) | C19—C22 | 1.510 (2) |
| O3—C16 | 1.4161 (18) | C20—C21 | 1.381 (2) |
| C1—C6 | 1.362 (3) | C20—H20 | 0.9300 |
| C1—C2 | 1.363 (3) | C21—H21 | 0.9300 |
| C1—H1 | 0.9300 | C22—C23 | 1.502 (2) |
| C2—C3 | 1.377 (3) | C22—H22A | 0.9700 |
| C2—H2 | 0.9300 | C22—H22B | 0.9700 |
| C3—C4 | 1.377 (3) | C23—C24 | 1.519 (2) |
| C3—H3 | 0.9300 | C23—H23A | 0.9700 |
| C4—C5 | 1.381 (2) | C23—H23B | 0.9700 |
| C4—C7 | 1.494 (2) | C24—C25 | 1.515 (2) |
| C5—C6 | 1.375 (3) | C24—H24A | 0.9700 |
| C5—H5 | 0.9300 | C24—H24B | 0.9700 |
| C6—H6 | 0.9300 | C25—C26 | 1.518 (2) |
| C8—C13 | 1.382 (2) | C25—H25A | 0.9700 |
| C8—C9 | 1.402 (2) | C25—H25B | 0.9700 |
| C7—H7A | 0.9700 | C26—C27 | 1.517 (2) |
| C7—H7B | 0.9700 | C26—H26A | 0.9700 |
| C9—C10 | 1.382 (2) | C26—H26B | 0.9700 |
| C9—C14 | 1.500 (2) | C27—C28 | 1.517 (2) |
| C10—C11 | 1.396 (2) | C27—H27A | 0.9700 |
| C10—H10 | 0.9300 | C27—H27B | 0.9700 |
| C11—C12 | 1.380 (2) | C28—C29 | 1.509 (2) |
| C11—C15 | 1.472 (2) | C28—H28A | 0.9700 |
| C12—C13 | 1.380 (2) | C28—H28B | 0.9700 |
| C12—H12 | 0.9300 | C29—C30 | 1.507 (2) |
| C13—H13 | 0.9300 | C29—H29A | 0.9700 |
| C14—H14A | 0.9600 | C29—H29B | 0.9700 |
| C14—H14B | 0.9600 | C30—C31 | 1.512 (3) |
| C14—H14C | 0.9600 | C30—H30A | 0.9700 |
| C16—C17 | 1.368 (2) | C30—H30B | 0.9700 |
| C16—C21 | 1.369 (2) | C31—H31A | 0.9600 |
| C17—C18 | 1.380 (2) | C31—H31B | 0.9600 |
| C17—H17 | 0.9300 | C31—H31C | 0.9600 |
| C8—O1—C7 | 117.75 (13) | C21—C20—H20 | 119.1 |
| C15—O3—C16 | 116.52 (12) | C19—C20—H20 | 119.1 |
| C6—C1—C2 | 119.72 (19) | C16—C21—C20 | 119.21 (15) |
| C6—C1—H1 | 120.1 | C16—C21—H21 | 120.4 |
| C2—C1—H1 | 120.1 | C20—C21—H21 | 120.4 |
| C1—C2—C3 | 120.29 (19) | C23—C22—C19 | 116.47 (14) |
| C1—C2—H2 | 119.9 | C23—C22—H22A | 108.2 |
| C3—C2—H2 | 119.9 | C19—C22—H22A | 108.2 |
| C2—C3—C4 | 120.56 (18) | C23—C22—H22B | 108.2 |
| C2—C3—H3 | 119.7 | C19—C22—H22B | 108.2 |
| C4—C3—H3 | 119.7 | H22A—C22—H22B | 107.3 |
| C3—C4—C5 | 118.56 (16) | C22—C23—C24 | 113.59 (14) |
| C3—C4—C7 | 121.33 (17) | C22—C23—H23A | 108.8 |
| C5—C4—C7 | 120.12 (17) | C24—C23—H23A | 108.8 |
| C6—C5—C4 | 120.29 (17) | C22—C23—H23B | 108.8 |
| C6—C5—H5 | 119.9 | C24—C23—H23B | 108.8 |
| C4—C5—H5 | 119.9 | H23A—C23—H23B | 107.7 |
| C1—C6—C5 | 120.58 (19) | C25—C24—C23 | 113.85 (15) |
| C1—C6—H6 | 119.7 | C25—C24—H24A | 108.8 |
| C5—C6—H6 | 119.7 | C23—C24—H24A | 108.8 |
| O1—C8—C13 | 123.80 (14) | C25—C24—H24B | 108.8 |
| O1—C8—C9 | 115.06 (14) | C23—C24—H24B | 108.8 |
| C13—C8—C9 | 121.13 (14) | H24A—C24—H24B | 107.7 |
| O1—C7—C4 | 108.23 (14) | C24—C25—C26 | 113.16 (15) |
| O1—C7—H7A | 110.1 | C24—C25—H25A | 108.9 |
| C4—C7—H7A | 110.1 | C26—C25—H25A | 108.9 |
| O1—C7—H7B | 110.1 | C24—C25—H25B | 108.9 |
| C4—C7—H7B | 110.1 | C26—C25—H25B | 108.9 |
| H7A—C7—H7B | 108.4 | H25A—C25—H25B | 107.8 |
| C10—C9—C8 | 117.95 (14) | C27—C26—C25 | 114.33 (15) |
| C10—C9—C14 | 122.26 (14) | C27—C26—H26A | 108.7 |
| C8—C9—C14 | 119.78 (14) | C25—C26—H26A | 108.7 |
| C9—C10—C11 | 121.69 (15) | C27—C26—H26B | 108.7 |
| C9—C10—H10 | 119.2 | C25—C26—H26B | 108.7 |
| C11—C10—H10 | 119.2 | H26A—C26—H26B | 107.6 |
| C12—C11—C10 | 118.62 (14) | C28—C27—C26 | 113.14 (15) |
| C12—C11—C15 | 117.55 (14) | C28—C27—H27A | 109.0 |
| C10—C11—C15 | 123.83 (15) | C26—C27—H27A | 109.0 |
| C13—C12—C11 | 121.27 (15) | C28—C27—H27B | 109.0 |
| C13—C12—H12 | 119.4 | C26—C27—H27B | 109.0 |
| C11—C12—H12 | 119.4 | H27A—C27—H27B | 107.8 |
| C12—C13—C8 | 119.34 (16) | C29—C28—C27 | 115.36 (16) |
| C12—C13—H13 | 120.3 | C29—C28—H28A | 108.4 |
| C8—C13—H13 | 120.3 | C27—C28—H28A | 108.4 |
| C9—C14—H14A | 109.5 | C29—C28—H28B | 108.4 |
| C9—C14—H14B | 109.5 | C27—C28—H28B | 108.4 |
| H14A—C14—H14B | 109.5 | H28A—C28—H28B | 107.5 |
| C9—C14—H14C | 109.5 | C30—C29—C28 | 113.17 (16) |
| H14A—C14—H14C | 109.5 | C30—C29—H29A | 108.9 |
| H14B—C14—H14C | 109.5 | C28—C29—H29A | 108.9 |
| O2—C15—O3 | 122.27 (15) | C30—C29—H29B | 108.9 |
| O2—C15—C11 | 124.65 (16) | C28—C29—H29B | 108.9 |
| O3—C15—C11 | 113.08 (14) | H29A—C29—H29B | 107.8 |
| C17—C16—C21 | 120.86 (14) | C29—C30—C31 | 114.4 (2) |
| C17—C16—O3 | 118.55 (14) | C29—C30—H30A | 108.7 |
| C21—C16—O3 | 120.56 (14) | C31—C30—H30A | 108.7 |
| C16—C17—C18 | 119.10 (15) | C29—C30—H30B | 108.7 |
| C16—C17—H17 | 120.5 | C31—C30—H30B | 108.7 |
| C18—C17—H17 | 120.5 | H30A—C30—H30B | 107.6 |
| C17—C18—C19 | 121.97 (16) | C30—C31—H31A | 109.5 |
| C17—C18—H18 | 119.0 | C30—C31—H31B | 109.5 |
| C19—C18—H18 | 119.0 | H31A—C31—H31B | 109.5 |
| C18—C19—C20 | 117.03 (14) | C30—C31—H31C | 109.5 |
| C18—C19—C22 | 119.99 (15) | H31A—C31—H31C | 109.5 |
| C20—C19—C22 | 122.97 (14) | H31B—C31—H31C | 109.5 |
| C21—C20—C19 | 121.78 (15) | ||
| C6—C1—C2—C3 | 0.5 (3) | C16—O3—C15—C11 | 177.94 (13) |
| C1—C2—C3—C4 | −0.2 (3) | C12—C11—C15—O2 | −2.2 (3) |
| C2—C3—C4—C5 | 0.2 (3) | C10—C11—C15—O2 | 178.07 (17) |
| C2—C3—C4—C7 | −179.54 (17) | C12—C11—C15—O3 | 177.47 (14) |
| C3—C4—C5—C6 | −0.5 (3) | C10—C11—C15—O3 | −2.3 (2) |
| C7—C4—C5—C6 | 179.25 (17) | C15—O3—C16—C17 | −112.35 (17) |
| C2—C1—C6—C5 | −0.8 (3) | C15—O3—C16—C21 | 69.6 (2) |
| C4—C5—C6—C1 | 0.8 (3) | C21—C16—C17—C18 | −1.8 (3) |
| C7—O1—C8—C13 | −1.9 (2) | O3—C16—C17—C18 | −179.82 (15) |
| C7—O1—C8—C9 | 178.12 (15) | C16—C17—C18—C19 | 0.0 (3) |
| C8—O1—C7—C4 | −176.37 (14) | C17—C18—C19—C20 | 1.6 (3) |
| C3—C4—C7—O1 | −65.5 (2) | C17—C18—C19—C22 | −177.81 (16) |
| C5—C4—C7—O1 | 114.78 (18) | C18—C19—C20—C21 | −1.4 (2) |
| O1—C8—C9—C10 | −179.88 (13) | C22—C19—C20—C21 | 177.94 (16) |
| C13—C8—C9—C10 | 0.1 (2) | C17—C16—C21—C20 | 2.0 (3) |
| O1—C8—C9—C14 | 0.6 (2) | O3—C16—C21—C20 | 179.92 (14) |
| C13—C8—C9—C14 | −179.41 (16) | C19—C20—C21—C16 | −0.3 (3) |
| C8—C9—C10—C11 | −0.5 (2) | C18—C19—C22—C23 | 170.77 (16) |
| C14—C9—C10—C11 | 179.02 (16) | C20—C19—C22—C23 | −8.6 (3) |
| C9—C10—C11—C12 | 0.6 (2) | C19—C22—C23—C24 | −173.87 (15) |
| C9—C10—C11—C15 | −179.63 (14) | C22—C23—C24—C25 | 177.16 (16) |
| C10—C11—C12—C13 | −0.4 (3) | C23—C24—C25—C26 | −177.39 (15) |
| C15—C11—C12—C13 | 179.87 (15) | C24—C25—C26—C27 | −176.29 (16) |
| C11—C12—C13—C8 | 0.0 (3) | C25—C26—C27—C28 | 177.49 (16) |
| O1—C8—C13—C12 | −179.87 (15) | C26—C27—C28—C29 | −177.76 (16) |
| C9—C8—C13—C12 | 0.1 (3) | C27—C28—C29—C30 | 177.89 (17) |
| C16—O3—C15—O2 | −2.4 (2) | C28—C29—C30—C31 | 175.6 (2) |
| H··· | ||||
| C10—H10···O3 | 0.93 | 2.47 | 2.786 (2) | 100 |
| C14—H14A···O1 | 0.96 | 2.24 | 2.726 (3) | 110 |