| Literature DB >> 21754760 |
Mohd Shaheen Khan, Othman Sulaiman, Rokiah Hashim, Madhukar Hemamalini, Hoong-Kun Fun.
Abstract
The asymmetric unit of the title compound, C(27)H(46), contains two crytallographically independent cholest-5-ene mol-ecules (A and B). In each mol-ecule, the three six-membered rings are all in chair conformations, while the five-membered ring is in a twist conformation. The terminal isopropyl group of mol-ecule A has a (-)-gauche conformation, whereas that of mol-ecule B has a (+)-gauche conformation. No significant inter-molecular inter-actions are observed in the crystal structure.Entities:
Year: 2011 PMID: 21754760 PMCID: PMC3120455 DOI: 10.1107/S1600536811016783
Source DB: PubMed Journal: Acta Crystallogr Sect E Struct Rep Online ISSN: 1600-5368
| C27H46 | |
| Monoclinic, | Mo |
| Hall symbol: P 2yb | Cell parameters from 9842 reflections |
| θ = 2.8–32.4° | |
| µ = 0.06 mm−1 | |
| β = 93.663 (1)° | Block, colourless |
| 0.43 × 0.35 × 0.22 mm | |
| Bruker SMART APEXII CCD area-detector diffractometer | 8594 independent reflections |
| Radiation source: fine-focus sealed tube | 7317 reflections with |
| graphite | |
| φ and ω scans | θmax = 32.6°, θmin = 1.9° |
| Absorption correction: multi-scan ( | |
| 49622 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 | |
| 8594 reflections | (Δ/σ)max = 0.001 |
| 497 parameters | Δρmax = 0.33 e Å−3 |
| 1 restraint | Δρmin = −0.23 e Å−3 |
| Experimental. The crystal was placed in the cold stream of an Oxford Cryosystems Cobra open-flow nitrogen cryostat (Cosier & Glazer, 1986) operating at 100.0 (1) K. |
| 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 F2 against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F2, conventional R-factors R are based on F, with F set to zero for negative F2. The threshold expression of F2 > 2σ(F2) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F2 are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger. |
| C13A | 0.37488 (16) | 0.40754 (9) | 0.78901 (14) | 0.0156 (3) | |
| C12A | 0.27174 (17) | 0.36278 (9) | 0.83954 (16) | 0.0188 (3) | |
| H12A | 0.2000 | 0.3595 | 0.7793 | 0.023* | |
| H12B | 0.2419 | 0.3851 | 0.9120 | 0.023* | |
| C11A | 0.31885 (18) | 0.28969 (9) | 0.87192 (15) | 0.0189 (3) | |
| H11A | 0.2476 | 0.2621 | 0.8981 | 0.023* | |
| H11B | 0.3818 | 0.2929 | 0.9406 | 0.023* | |
| C9A | 0.37803 (17) | 0.25134 (9) | 0.76830 (14) | 0.0160 (3) | |
| H9AA | 0.3089 | 0.2440 | 0.7050 | 0.019* | |
| C10A | 0.42859 (17) | 0.17816 (9) | 0.80370 (14) | 0.0161 (3) | |
| C1A | 0.31619 (18) | 0.12919 (9) | 0.81767 (16) | 0.0193 (3) | |
| H1AA | 0.2719 | 0.1438 | 0.8885 | 0.023* | |
| H1AB | 0.2570 | 0.1341 | 0.7464 | 0.023* | |
| C2A | 0.3517 (2) | 0.05301 (10) | 0.83210 (17) | 0.0233 (4) | |
| H2AA | 0.4029 | 0.0465 | 0.9082 | 0.028* | |
| H2AB | 0.2747 | 0.0250 | 0.8358 | 0.028* | |
| C3A | 0.4255 (2) | 0.02846 (10) | 0.72775 (18) | 0.0265 (4) | |
| H3AA | 0.4524 | −0.0199 | 0.7417 | 0.032* | |
| H3AB | 0.3712 | 0.0300 | 0.6526 | 0.032* | |
| C4A | 0.5399 (2) | 0.07375 (10) | 0.71500 (18) | 0.0247 (4) | |
| H4AA | 0.5995 | 0.0668 | 0.7855 | 0.030* | |
| H4AB | 0.5823 | 0.0595 | 0.6427 | 0.030* | |
| C5A | 0.50649 (17) | 0.14922 (9) | 0.70493 (15) | 0.0186 (3) | |
| C6A | 0.54370 (18) | 0.18658 (9) | 0.61387 (15) | 0.0199 (3) | |
| H6AA | 0.5885 | 0.1636 | 0.5549 | 0.024* | |
| C7A | 0.52013 (18) | 0.26199 (9) | 0.59759 (15) | 0.0194 (3) | |
| H7AA | 0.4556 | 0.2688 | 0.5311 | 0.023* | |
| H7AB | 0.5981 | 0.2846 | 0.5748 | 0.023* | |
| C8A | 0.47629 (17) | 0.29661 (9) | 0.71085 (14) | 0.0164 (3) | |
| H8AA | 0.5500 | 0.3026 | 0.7696 | 0.020* | |
| C14A | 0.42058 (16) | 0.36728 (9) | 0.68059 (14) | 0.0158 (3) | |
| H14A | 0.3444 | 0.3587 | 0.6260 | 0.019* | |
| C15A | 0.50026 (18) | 0.41878 (9) | 0.61573 (16) | 0.0195 (3) | |
| H15A | 0.5034 | 0.4067 | 0.5299 | 0.023* | |
| H15B | 0.5868 | 0.4206 | 0.6528 | 0.023* | |
| C16A | 0.43156 (18) | 0.48791 (9) | 0.63127 (15) | 0.0199 (3) | |
| H16A | 0.3898 | 0.5028 | 0.5540 | 0.024* | |
| H16B | 0.4919 | 0.5241 | 0.6592 | 0.024* | |
| C17A | 0.33231 (17) | 0.47615 (9) | 0.72619 (15) | 0.0162 (3) | |
| H17A | 0.2501 | 0.4670 | 0.6812 | 0.019* | |
| C20A | 0.31612 (17) | 0.54145 (9) | 0.80253 (15) | 0.0180 (3) | |
| H20A | 0.3994 | 0.5528 | 0.8435 | 0.022* | |
| C22A | 0.27633 (19) | 0.60253 (9) | 0.72037 (16) | 0.0210 (4) | |
| H22A | 0.3321 | 0.6039 | 0.6531 | 0.025* | |
| H22B | 0.1901 | 0.5940 | 0.6859 | 0.025* | |
| C23A | 0.2794 (2) | 0.67306 (9) | 0.78133 (17) | 0.0222 (4) | |
| H23A | 0.2092 | 0.6761 | 0.8347 | 0.027* | |
| H23B | 0.3586 | 0.6776 | 0.8317 | 0.027* | |
| C24A | 0.2696 (2) | 0.73224 (9) | 0.69198 (16) | 0.0214 (4) | |
| H24A | 0.1933 | 0.7253 | 0.6384 | 0.026* | |
| H24B | 0.3425 | 0.7300 | 0.6418 | 0.026* | |
| C25A | 0.26435 (19) | 0.80430 (10) | 0.74575 (17) | 0.0216 (4) | |
| H25A | 0.1900 | 0.8059 | 0.7956 | 0.026* | |
| C27A | 0.2446 (2) | 0.85875 (10) | 0.64785 (18) | 0.0258 (4) | |
| H27A | 0.2381 | 0.9043 | 0.6848 | 0.039* | |
| H27B | 0.1673 | 0.8487 | 0.5992 | 0.039* | |
| H27C | 0.3158 | 0.8582 | 0.5968 | 0.039* | |
| C26A | 0.3789 (3) | 0.82162 (12) | 0.8271 (2) | 0.0439 (6) | |
| H26A | 0.3855 | 0.7891 | 0.8944 | 0.066* | |
| H26B | 0.3711 | 0.8686 | 0.8579 | 0.066* | |
| H26C | 0.4541 | 0.8183 | 0.7818 | 0.066* | |
| C21A | 0.2224 (2) | 0.53188 (10) | 0.89955 (17) | 0.0247 (4) | |
| H21A | 0.2101 | 0.5760 | 0.9400 | 0.037* | |
| H21B | 0.2552 | 0.4978 | 0.9582 | 0.037* | |
| H21C | 0.1422 | 0.5158 | 0.8625 | 0.037* | |
| C19A | 0.48099 (17) | 0.42163 (9) | 0.88552 (15) | 0.0189 (3) | |
| H19A | 0.5205 | 0.3780 | 0.9108 | 0.028* | |
| H19B | 0.4464 | 0.4440 | 0.9547 | 0.028* | |
| H19C | 0.5436 | 0.4518 | 0.8525 | 0.028* | |
| C18A | 0.51117 (19) | 0.18030 (10) | 0.92217 (16) | 0.0225 (4) | |
| H18A | 0.5518 | 0.1355 | 0.9358 | 0.034* | |
| H18B | 0.4589 | 0.1907 | 0.9887 | 0.034* | |
| H18C | 0.5753 | 0.2161 | 0.9171 | 0.034* | |
| C13B | 0.19713 (17) | 0.15525 (9) | 0.27013 (14) | 0.0162 (3) | |
| C12B | 0.13964 (19) | 0.19277 (9) | 0.15798 (15) | 0.0210 (4) | |
| H12C | 0.1743 | 0.1730 | 0.0855 | 0.025* | |
| H12D | 0.0478 | 0.1855 | 0.1518 | 0.025* | |
| C11B | 0.1675 (2) | 0.27040 (10) | 0.16367 (16) | 0.0221 (4) | |
| H11C | 0.1266 | 0.2928 | 0.0918 | 0.026* | |
| H11D | 0.2590 | 0.2774 | 0.1613 | 0.026* | |
| C9B | 0.12240 (17) | 0.30577 (9) | 0.27648 (14) | 0.0167 (3) | |
| H9BA | 0.0291 | 0.3010 | 0.2718 | 0.020* | |
| C10B | 0.15000 (17) | 0.38455 (9) | 0.28127 (15) | 0.0181 (3) | |
| C1B | 0.0650 (2) | 0.42059 (10) | 0.18217 (16) | 0.0234 (4) | |
| H1BA | 0.0961 | 0.4090 | 0.1031 | 0.028* | |
| H1BB | −0.0209 | 0.4017 | 0.1842 | 0.028* | |
| C2B | 0.0583 (2) | 0.49911 (11) | 0.19319 (18) | 0.0287 (4) | |
| H2BA | 0.1419 | 0.5192 | 0.1823 | 0.034* | |
| H2BB | −0.0011 | 0.5176 | 0.1295 | 0.034* | |
| C3B | 0.0153 (2) | 0.51952 (10) | 0.31560 (17) | 0.0260 (4) | |
| H3BA | −0.0694 | 0.5007 | 0.3260 | 0.031* | |
| H3BB | 0.0112 | 0.5703 | 0.3219 | 0.031* | |
| C4B | 0.10817 (19) | 0.49093 (10) | 0.41310 (17) | 0.0224 (4) | |
| H4BA | 0.1915 | 0.5120 | 0.4051 | 0.027* | |
| H4BB | 0.0799 | 0.5032 | 0.4930 | 0.027* | |
| C5B | 0.11862 (17) | 0.41337 (9) | 0.40335 (16) | 0.0186 (3) | |
| C6B | 0.09770 (17) | 0.37372 (9) | 0.49722 (15) | 0.0193 (3) | |
| H6BA | 0.0767 | 0.3960 | 0.5689 | 0.023* | |
| C7B | 0.10474 (18) | 0.29677 (9) | 0.49828 (15) | 0.0188 (3) | |
| H7BA | 0.0188 | 0.2777 | 0.4970 | 0.023* | |
| H7BB | 0.1503 | 0.2815 | 0.5736 | 0.023* | |
| C8B | 0.17069 (17) | 0.26817 (9) | 0.39177 (15) | 0.0166 (3) | |
| H8BA | 0.2630 | 0.2757 | 0.4052 | 0.020* | |
| C14B | 0.14447 (16) | 0.19129 (9) | 0.37893 (14) | 0.0158 (3) | |
| H14B | 0.0513 | 0.1869 | 0.3674 | 0.019* | |
| C15B | 0.18369 (19) | 0.14450 (9) | 0.48515 (16) | 0.0207 (3) | |
| H15C | 0.1245 | 0.1486 | 0.5494 | 0.025* | |
| H15D | 0.2691 | 0.1560 | 0.5186 | 0.025* | |
| C16B | 0.17979 (19) | 0.07137 (9) | 0.43025 (15) | 0.0211 (4) | |
| H16C | 0.1140 | 0.0433 | 0.4654 | 0.025* | |
| H16D | 0.2615 | 0.0480 | 0.4459 | 0.025* | |
| C17B | 0.15011 (17) | 0.08067 (9) | 0.29291 (15) | 0.0165 (3) | |
| H17B | 0.0568 | 0.0818 | 0.2798 | 0.020* | |
| C20B | 0.19557 (18) | 0.01912 (9) | 0.22096 (16) | 0.0193 (3) | |
| H20B | 0.2880 | 0.0145 | 0.2388 | 0.023* | |
| C22B | 0.13311 (19) | −0.04703 (10) | 0.26282 (16) | 0.0211 (3) | |
| H22C | 0.1581 | −0.0539 | 0.3488 | 0.025* | |
| H22D | 0.0412 | −0.0401 | 0.2560 | 0.025* | |
| C23B | 0.16278 (19) | −0.11291 (10) | 0.19590 (17) | 0.0224 (4) | |
| H23C | 0.2543 | −0.1157 | 0.1880 | 0.027* | |
| H23D | 0.1213 | −0.1111 | 0.1142 | 0.027* | |
| C24B | 0.1194 (2) | −0.17724 (10) | 0.25980 (18) | 0.0244 (4) | |
| H24C | 0.0269 | −0.1762 | 0.2594 | 0.029* | |
| H24D | 0.1525 | −0.1752 | 0.3445 | 0.029* | |
| C25B | 0.1584 (2) | −0.24600 (11) | 0.2072 (2) | 0.0298 (4) | |
| H25B | 0.2517 | −0.2456 | 0.2044 | 0.036* | |
| C26B | 0.1032 (3) | −0.25629 (15) | 0.0798 (2) | 0.0513 (7) | |
| H26D | 0.1277 | −0.3016 | 0.0506 | 0.077* | |
| H26E | 0.1346 | −0.2203 | 0.0279 | 0.077* | |
| H26F | 0.0116 | −0.2535 | 0.0787 | 0.077* | |
| C27B | 0.1243 (3) | −0.30568 (13) | 0.2862 (3) | 0.0440 (6) | |
| H27D | 0.1571 | −0.3486 | 0.2544 | 0.066* | |
| H27E | 0.0329 | −0.3088 | 0.2876 | 0.066* | |
| H27F | 0.1608 | −0.2982 | 0.3679 | 0.066* | |
| C21B | 0.1720 (2) | 0.02906 (10) | 0.08577 (17) | 0.0279 (4) | |
| H21D | 0.1958 | −0.0129 | 0.0441 | 0.042* | |
| H21E | 0.2221 | 0.0679 | 0.0596 | 0.042* | |
| H21F | 0.0829 | 0.0386 | 0.0669 | 0.042* | |
| C19B | 0.34079 (18) | 0.15689 (10) | 0.27321 (18) | 0.0236 (4) | |
| H19D | 0.3696 | 0.2048 | 0.2752 | 0.035* | |
| H19E | 0.3691 | 0.1341 | 0.2015 | 0.035* | |
| H19F | 0.3754 | 0.1328 | 0.3449 | 0.035* | |
| C18B | 0.28927 (19) | 0.40012 (11) | 0.2626 (2) | 0.0274 (4) | |
| H18D | 0.3060 | 0.4491 | 0.2776 | 0.041* | |
| H18E | 0.3074 | 0.3888 | 0.1800 | 0.041* | |
| H18F | 0.3427 | 0.3723 | 0.3183 | 0.041* |
| C13A | 0.0178 (8) | 0.0130 (7) | 0.0160 (7) | 0.0006 (6) | 0.0018 (6) | 0.0005 (5) |
| C12A | 0.0206 (8) | 0.0152 (8) | 0.0213 (8) | 0.0003 (7) | 0.0057 (6) | −0.0003 (6) |
| C11A | 0.0247 (9) | 0.0128 (8) | 0.0201 (7) | 0.0001 (7) | 0.0085 (6) | 0.0013 (6) |
| C9A | 0.0184 (8) | 0.0143 (7) | 0.0155 (7) | 0.0005 (6) | 0.0031 (6) | 0.0017 (6) |
| C10A | 0.0199 (8) | 0.0147 (8) | 0.0138 (7) | 0.0010 (6) | 0.0015 (6) | 0.0009 (6) |
| C1A | 0.0242 (9) | 0.0152 (8) | 0.0189 (7) | 0.0007 (7) | 0.0038 (6) | 0.0030 (6) |
| C2A | 0.0303 (10) | 0.0169 (8) | 0.0231 (8) | −0.0021 (7) | 0.0052 (7) | 0.0026 (6) |
| C3A | 0.0354 (11) | 0.0142 (8) | 0.0305 (9) | 0.0001 (8) | 0.0068 (8) | −0.0016 (7) |
| C4A | 0.0319 (10) | 0.0171 (9) | 0.0261 (9) | 0.0050 (8) | 0.0087 (7) | 0.0003 (7) |
| C5A | 0.0208 (8) | 0.0152 (8) | 0.0197 (7) | 0.0021 (7) | 0.0020 (6) | −0.0006 (6) |
| C6A | 0.0234 (9) | 0.0171 (8) | 0.0197 (8) | 0.0013 (7) | 0.0066 (6) | −0.0020 (6) |
| C7A | 0.0247 (9) | 0.0151 (8) | 0.0192 (7) | 0.0017 (7) | 0.0062 (6) | 0.0006 (6) |
| C8A | 0.0182 (8) | 0.0163 (7) | 0.0151 (7) | −0.0005 (6) | 0.0037 (6) | 0.0008 (6) |
| C14A | 0.0184 (8) | 0.0134 (7) | 0.0155 (7) | 0.0003 (6) | 0.0023 (6) | 0.0016 (5) |
| C15A | 0.0243 (9) | 0.0152 (8) | 0.0195 (7) | −0.0006 (7) | 0.0059 (6) | 0.0021 (6) |
| C16A | 0.0254 (9) | 0.0152 (8) | 0.0193 (7) | −0.0008 (7) | 0.0040 (6) | 0.0024 (6) |
| C17A | 0.0183 (8) | 0.0135 (7) | 0.0167 (7) | 0.0001 (6) | 0.0007 (6) | 0.0006 (5) |
| C20A | 0.0207 (8) | 0.0141 (8) | 0.0192 (7) | −0.0002 (7) | 0.0018 (6) | −0.0003 (6) |
| C22A | 0.0261 (10) | 0.0154 (8) | 0.0212 (8) | 0.0006 (7) | 0.0000 (7) | 0.0001 (6) |
| C23A | 0.0302 (10) | 0.0139 (8) | 0.0225 (8) | 0.0017 (7) | 0.0016 (7) | −0.0004 (6) |
| C24A | 0.0278 (9) | 0.0146 (8) | 0.0217 (8) | 0.0028 (7) | 0.0002 (7) | −0.0007 (6) |
| C25A | 0.0259 (9) | 0.0146 (8) | 0.0239 (8) | −0.0003 (7) | 0.0003 (7) | 0.0015 (6) |
| C27A | 0.0295 (10) | 0.0182 (9) | 0.0293 (9) | 0.0025 (8) | −0.0006 (8) | 0.0031 (7) |
| C26A | 0.0553 (16) | 0.0225 (10) | 0.0501 (14) | −0.0084 (11) | −0.0270 (12) | 0.0039 (10) |
| C21A | 0.0315 (10) | 0.0167 (9) | 0.0270 (9) | 0.0017 (8) | 0.0094 (8) | −0.0016 (7) |
| C19A | 0.0210 (8) | 0.0166 (8) | 0.0189 (7) | 0.0015 (7) | 0.0007 (6) | 0.0000 (6) |
| C18A | 0.0287 (9) | 0.0204 (9) | 0.0177 (7) | 0.0022 (7) | −0.0032 (7) | 0.0011 (6) |
| C13B | 0.0197 (8) | 0.0128 (7) | 0.0164 (7) | 0.0003 (6) | 0.0027 (6) | 0.0008 (6) |
| C12B | 0.0319 (10) | 0.0163 (8) | 0.0149 (7) | 0.0013 (8) | 0.0017 (6) | −0.0010 (6) |
| C11B | 0.0331 (10) | 0.0165 (8) | 0.0171 (7) | 0.0026 (7) | 0.0059 (7) | 0.0008 (6) |
| C9B | 0.0197 (8) | 0.0150 (8) | 0.0154 (7) | −0.0003 (6) | 0.0015 (6) | −0.0001 (6) |
| C10B | 0.0212 (8) | 0.0134 (7) | 0.0201 (7) | 0.0002 (7) | 0.0047 (6) | −0.0001 (6) |
| C1B | 0.0343 (10) | 0.0174 (8) | 0.0185 (8) | 0.0012 (8) | 0.0014 (7) | 0.0012 (6) |
| C2B | 0.0439 (12) | 0.0183 (9) | 0.0243 (9) | 0.0014 (9) | 0.0054 (8) | 0.0048 (7) |
| C3B | 0.0340 (11) | 0.0180 (9) | 0.0261 (9) | 0.0024 (8) | 0.0036 (8) | 0.0013 (7) |
| C4B | 0.0267 (9) | 0.0164 (8) | 0.0239 (8) | −0.0003 (7) | 0.0018 (7) | −0.0031 (6) |
| C5B | 0.0167 (8) | 0.0167 (8) | 0.0221 (8) | −0.0006 (7) | −0.0005 (6) | −0.0027 (6) |
| C6B | 0.0207 (8) | 0.0192 (9) | 0.0176 (7) | −0.0005 (7) | −0.0013 (6) | −0.0036 (6) |
| C7B | 0.0234 (9) | 0.0180 (8) | 0.0151 (7) | 0.0014 (7) | 0.0018 (6) | 0.0002 (6) |
| C8B | 0.0177 (8) | 0.0148 (8) | 0.0170 (7) | 0.0014 (6) | 0.0002 (6) | −0.0008 (6) |
| C14B | 0.0173 (8) | 0.0156 (8) | 0.0146 (7) | −0.0006 (6) | 0.0009 (6) | 0.0014 (6) |
| C15B | 0.0282 (9) | 0.0163 (8) | 0.0174 (7) | 0.0014 (7) | −0.0009 (6) | 0.0013 (6) |
| C16B | 0.0289 (9) | 0.0167 (8) | 0.0174 (7) | −0.0002 (7) | 0.0004 (7) | 0.0017 (6) |
| C17B | 0.0176 (8) | 0.0147 (7) | 0.0175 (7) | 0.0000 (6) | 0.0026 (6) | 0.0001 (6) |
| C20B | 0.0228 (9) | 0.0147 (8) | 0.0209 (8) | −0.0004 (7) | 0.0045 (7) | −0.0006 (6) |
| C22B | 0.0248 (9) | 0.0168 (8) | 0.0221 (8) | −0.0008 (7) | 0.0052 (7) | −0.0012 (6) |
| C23B | 0.0253 (9) | 0.0169 (8) | 0.0255 (8) | −0.0019 (7) | 0.0057 (7) | −0.0036 (7) |
| C24B | 0.0301 (10) | 0.0163 (8) | 0.0275 (9) | −0.0010 (8) | 0.0071 (8) | −0.0033 (7) |
| C25B | 0.0273 (10) | 0.0216 (10) | 0.0411 (11) | −0.0025 (8) | 0.0072 (9) | −0.0068 (8) |
| C26B | 0.074 (2) | 0.0364 (14) | 0.0431 (13) | −0.0008 (14) | −0.0009 (13) | −0.0185 (11) |
| C27B | 0.0476 (15) | 0.0199 (11) | 0.0666 (17) | −0.0006 (11) | 0.0206 (13) | 0.0001 (11) |
| C21B | 0.0455 (12) | 0.0188 (9) | 0.0205 (8) | −0.0020 (9) | 0.0100 (8) | −0.0003 (7) |
| C19B | 0.0233 (9) | 0.0170 (8) | 0.0312 (9) | −0.0001 (7) | 0.0075 (7) | −0.0013 (7) |
| C18B | 0.0265 (10) | 0.0198 (9) | 0.0372 (10) | −0.0044 (8) | 0.0117 (8) | −0.0027 (8) |
| C13A—C19A | 1.539 (2) | C13B—C19B | 1.535 (3) |
| C13A—C12A | 1.539 (2) | C13B—C14B | 1.540 (2) |
| C13A—C14A | 1.547 (2) | C13B—C12B | 1.543 (2) |
| C13A—C17A | 1.560 (2) | C13B—C17B | 1.558 (2) |
| C12A—C11A | 1.541 (2) | C12B—C11B | 1.536 (3) |
| C12A—H12A | 0.9900 | C12B—H12C | 0.9900 |
| C12A—H12B | 0.9900 | C12B—H12D | 0.9900 |
| C11A—C9A | 1.546 (2) | C11B—C9B | 1.540 (2) |
| C11A—H11A | 0.9900 | C11B—H11C | 0.9900 |
| C11A—H11B | 0.9900 | C11B—H11D | 0.9900 |
| C9A—C8A | 1.541 (2) | C9B—C8B | 1.541 (2) |
| C9A—C10A | 1.561 (2) | C9B—C10B | 1.557 (2) |
| C9A—H9AA | 1.0000 | C9B—H9BA | 1.0000 |
| C10A—C5A | 1.532 (2) | C10B—C5B | 1.531 (2) |
| C10A—C18A | 1.544 (2) | C10B—C18B | 1.547 (3) |
| C10A—C1A | 1.548 (3) | C10B—C1B | 1.554 (3) |
| C1A—C2A | 1.532 (3) | C1B—C2B | 1.531 (3) |
| C1A—H1AA | 0.9900 | C1B—H1BA | 0.9900 |
| C1A—H1AB | 0.9900 | C1B—H1BB | 0.9900 |
| C2A—C3A | 1.526 (3) | C2B—C3B | 1.523 (3) |
| C2A—H2AA | 0.9900 | C2B—H2BA | 0.9900 |
| C2A—H2AB | 0.9900 | C2B—H2BB | 0.9900 |
| C3A—C4A | 1.521 (3) | C3B—C4B | 1.531 (3) |
| C3A—H3AA | 0.9900 | C3B—H3BA | 0.9900 |
| C3A—H3AB | 0.9900 | C3B—H3BB | 0.9900 |
| C4A—C5A | 1.510 (3) | C4B—C5B | 1.514 (3) |
| C4A—H4AA | 0.9900 | C4B—H4BA | 0.9900 |
| C4A—H4AB | 0.9900 | C4B—H4BB | 0.9900 |
| C5A—C6A | 1.331 (2) | C5B—C6B | 1.331 (3) |
| C6A—C7A | 1.494 (3) | C6B—C7B | 1.495 (3) |
| C6A—H6AA | 0.9500 | C6B—H6BA | 0.9500 |
| C7A—C8A | 1.533 (2) | C7B—C8B | 1.526 (2) |
| C7A—H7AA | 0.9900 | C7B—H7BA | 0.9900 |
| C7A—H7AB | 0.9900 | C7B—H7BB | 0.9900 |
| C8A—C14A | 1.525 (2) | C8B—C14B | 1.523 (2) |
| C8A—H8AA | 1.0000 | C8B—H8BA | 1.0000 |
| C14A—C15A | 1.526 (2) | C14B—C15B | 1.532 (2) |
| C14A—H14A | 1.0000 | C14B—H14B | 1.0000 |
| C15A—C16A | 1.545 (3) | C15B—C16B | 1.546 (3) |
| C15A—H15A | 0.9900 | C15B—H15C | 0.9900 |
| C15A—H15B | 0.9900 | C15B—H15D | 0.9900 |
| C16A—C17A | 1.565 (3) | C16B—C17B | 1.558 (2) |
| C16A—H16A | 0.9900 | C16B—H16C | 0.9900 |
| C16A—H16B | 0.9900 | C16B—H16D | 0.9900 |
| C17A—C20A | 1.544 (2) | C17B—C20B | 1.536 (2) |
| C17A—H17A | 1.0000 | C17B—H17B | 1.0000 |
| C20A—C21A | 1.534 (3) | C20B—C21B | 1.528 (3) |
| C20A—C22A | 1.542 (3) | C20B—C22B | 1.534 (3) |
| C20A—H20A | 1.0000 | C20B—H20B | 1.0000 |
| C22A—C23A | 1.528 (3) | C22B—C23B | 1.525 (3) |
| C22A—H22A | 0.9900 | C22B—H22C | 0.9900 |
| C22A—H22B | 0.9900 | C22B—H22D | 0.9900 |
| C23A—C24A | 1.521 (3) | C23B—C24B | 1.525 (3) |
| C23A—H23A | 0.9900 | C23B—H23C | 0.9900 |
| C23A—H23B | 0.9900 | C23B—H23D | 0.9900 |
| C24A—C25A | 1.525 (3) | C24B—C25B | 1.527 (3) |
| C24A—H24A | 0.9900 | C24B—H24C | 0.9900 |
| C24A—H24B | 0.9900 | C24B—H24D | 0.9900 |
| C25A—C26A | 1.516 (3) | C25B—C27B | 1.515 (3) |
| C25A—C27A | 1.526 (3) | C25B—C26B | 1.519 (3) |
| C25A—H25A | 1.0000 | C25B—H25B | 1.0000 |
| C27A—H27A | 0.9800 | C26B—H26D | 0.9800 |
| C27A—H27B | 0.9800 | C26B—H26E | 0.9800 |
| C27A—H27C | 0.9800 | C26B—H26F | 0.9800 |
| C26A—H26A | 0.9800 | C27B—H27D | 0.9800 |
| C26A—H26B | 0.9800 | C27B—H27E | 0.9800 |
| C26A—H26C | 0.9800 | C27B—H27F | 0.9800 |
| C21A—H21A | 0.9800 | C21B—H21D | 0.9800 |
| C21A—H21B | 0.9800 | C21B—H21E | 0.9800 |
| C21A—H21C | 0.9800 | C21B—H21F | 0.9800 |
| C19A—H19A | 0.9800 | C19B—H19D | 0.9800 |
| C19A—H19B | 0.9800 | C19B—H19E | 0.9800 |
| C19A—H19C | 0.9800 | C19B—H19F | 0.9800 |
| C18A—H18A | 0.9800 | C18B—H18D | 0.9800 |
| C18A—H18B | 0.9800 | C18B—H18E | 0.9800 |
| C18A—H18C | 0.9800 | C18B—H18F | 0.9800 |
| C19A—C13A—C12A | 110.89 (14) | C19B—C13B—C14B | 112.88 (14) |
| C19A—C13A—C14A | 112.52 (14) | C19B—C13B—C12B | 110.78 (15) |
| C12A—C13A—C14A | 105.78 (14) | C14B—C13B—C12B | 106.28 (14) |
| C19A—C13A—C17A | 110.17 (14) | C19B—C13B—C17B | 110.39 (14) |
| C12A—C13A—C17A | 116.84 (14) | C14B—C13B—C17B | 98.90 (13) |
| C14A—C13A—C17A | 100.15 (13) | C12B—C13B—C17B | 117.06 (14) |
| C13A—C12A—C11A | 111.99 (15) | C11B—C12B—C13B | 111.28 (15) |
| C13A—C12A—H12A | 109.2 | C11B—C12B—H12C | 109.4 |
| C11A—C12A—H12A | 109.2 | C13B—C12B—H12C | 109.4 |
| C13A—C12A—H12B | 109.2 | C11B—C12B—H12D | 109.4 |
| C11A—C12A—H12B | 109.2 | C13B—C12B—H12D | 109.4 |
| H12A—C12A—H12B | 107.9 | H12C—C12B—H12D | 108.0 |
| C12A—C11A—C9A | 114.25 (14) | C12B—C11B—C9B | 113.63 (15) |
| C12A—C11A—H11A | 108.7 | C12B—C11B—H11C | 108.8 |
| C9A—C11A—H11A | 108.7 | C9B—C11B—H11C | 108.8 |
| C12A—C11A—H11B | 108.7 | C12B—C11B—H11D | 108.8 |
| C9A—C11A—H11B | 108.7 | C9B—C11B—H11D | 108.8 |
| H11A—C11A—H11B | 107.6 | H11C—C11B—H11D | 107.7 |
| C8A—C9A—C11A | 111.12 (14) | C11B—C9B—C8B | 111.58 (14) |
| C8A—C9A—C10A | 112.95 (14) | C11B—C9B—C10B | 113.40 (14) |
| C11A—C9A—C10A | 113.56 (13) | C8B—C9B—C10B | 112.55 (14) |
| C8A—C9A—H9AA | 106.2 | C11B—C9B—H9BA | 106.2 |
| C11A—C9A—H9AA | 106.2 | C8B—C9B—H9BA | 106.2 |
| C10A—C9A—H9AA | 106.2 | C10B—C9B—H9BA | 106.2 |
| C5A—C10A—C18A | 108.67 (15) | C5B—C10B—C18B | 108.45 (15) |
| C5A—C10A—C1A | 108.01 (14) | C5B—C10B—C1B | 108.60 (15) |
| C18A—C10A—C1A | 109.59 (14) | C18B—C10B—C1B | 109.91 (16) |
| C5A—C10A—C9A | 110.26 (13) | C5B—C10B—C9B | 109.71 (14) |
| C18A—C10A—C9A | 111.26 (14) | C18B—C10B—C9B | 111.67 (15) |
| C1A—C10A—C9A | 108.99 (14) | C1B—C10B—C9B | 108.45 (14) |
| C2A—C1A—C10A | 114.46 (15) | C2B—C1B—C10B | 114.78 (16) |
| C2A—C1A—H1AA | 108.6 | C2B—C1B—H1BA | 108.6 |
| C10A—C1A—H1AA | 108.6 | C10B—C1B—H1BA | 108.6 |
| C2A—C1A—H1AB | 108.6 | C2B—C1B—H1BB | 108.6 |
| C10A—C1A—H1AB | 108.6 | C10B—C1B—H1BB | 108.6 |
| H1AA—C1A—H1AB | 107.6 | H1BA—C1B—H1BB | 107.5 |
| C3A—C2A—C1A | 110.96 (15) | C3B—C2B—C1B | 110.46 (16) |
| C3A—C2A—H2AA | 109.4 | C3B—C2B—H2BA | 109.6 |
| C1A—C2A—H2AA | 109.4 | C1B—C2B—H2BA | 109.6 |
| C3A—C2A—H2AB | 109.4 | C3B—C2B—H2BB | 109.6 |
| C1A—C2A—H2AB | 109.4 | C1B—C2B—H2BB | 109.6 |
| H2AA—C2A—H2AB | 108.0 | H2BA—C2B—H2BB | 108.1 |
| C4A—C3A—C2A | 110.48 (16) | C2B—C3B—C4B | 109.01 (17) |
| C4A—C3A—H3AA | 109.6 | C2B—C3B—H3BA | 109.9 |
| C2A—C3A—H3AA | 109.6 | C4B—C3B—H3BA | 109.9 |
| C4A—C3A—H3AB | 109.6 | C2B—C3B—H3BB | 109.9 |
| C2A—C3A—H3AB | 109.6 | C4B—C3B—H3BB | 109.9 |
| H3AA—C3A—H3AB | 108.1 | H3BA—C3B—H3BB | 108.3 |
| C5A—C4A—C3A | 112.29 (17) | C5B—C4B—C3B | 110.89 (16) |
| C5A—C4A—H4AA | 109.1 | C5B—C4B—H4BA | 109.5 |
| C3A—C4A—H4AA | 109.1 | C3B—C4B—H4BA | 109.5 |
| C5A—C4A—H4AB | 109.1 | C5B—C4B—H4BB | 109.5 |
| C3A—C4A—H4AB | 109.1 | C3B—C4B—H4BB | 109.5 |
| H4AA—C4A—H4AB | 107.9 | H4BA—C4B—H4BB | 108.0 |
| C6A—C5A—C4A | 120.28 (17) | C6B—C5B—C4B | 120.07 (17) |
| C6A—C5A—C10A | 123.66 (16) | C6B—C5B—C10B | 123.25 (16) |
| C4A—C5A—C10A | 116.05 (15) | C4B—C5B—C10B | 116.66 (15) |
| C5A—C6A—C7A | 124.77 (16) | C5B—C6B—C7B | 124.93 (17) |
| C5A—C6A—H6AA | 117.6 | C5B—C6B—H6BA | 117.5 |
| C7A—C6A—H6AA | 117.6 | C7B—C6B—H6BA | 117.5 |
| C6A—C7A—C8A | 112.76 (14) | C6B—C7B—C8B | 112.48 (15) |
| C6A—C7A—H7AA | 109.0 | C6B—C7B—H7BA | 109.1 |
| C8A—C7A—H7AA | 109.0 | C8B—C7B—H7BA | 109.1 |
| C6A—C7A—H7AB | 109.0 | C6B—C7B—H7BB | 109.1 |
| C8A—C7A—H7AB | 109.0 | C8B—C7B—H7BB | 109.1 |
| H7AA—C7A—H7AB | 107.8 | H7BA—C7B—H7BB | 107.8 |
| C14A—C8A—C7A | 110.30 (14) | C14B—C8B—C7B | 109.77 (14) |
| C14A—C8A—C9A | 109.76 (14) | C14B—C8B—C9B | 109.59 (13) |
| C7A—C8A—C9A | 110.29 (14) | C7B—C8B—C9B | 109.46 (14) |
| C14A—C8A—H8AA | 108.8 | C14B—C8B—H8BA | 109.3 |
| C7A—C8A—H8AA | 108.8 | C7B—C8B—H8BA | 109.3 |
| C9A—C8A—H8AA | 108.8 | C9B—C8B—H8BA | 109.3 |
| C8A—C14A—C15A | 118.18 (15) | C8B—C14B—C15B | 117.91 (14) |
| C8A—C14A—C13A | 114.77 (13) | C8B—C14B—C13B | 116.41 (14) |
| C15A—C14A—C13A | 104.79 (14) | C15B—C14B—C13B | 104.30 (14) |
| C8A—C14A—H14A | 106.1 | C8B—C14B—H14B | 105.7 |
| C15A—C14A—H14A | 106.1 | C15B—C14B—H14B | 105.7 |
| C13A—C14A—H14A | 106.1 | C13B—C14B—H14B | 105.7 |
| C14A—C15A—C16A | 103.38 (14) | C14B—C15B—C16B | 103.74 (14) |
| C14A—C15A—H15A | 111.1 | C14B—C15B—H15C | 111.0 |
| C16A—C15A—H15A | 111.1 | C16B—C15B—H15C | 111.0 |
| C14A—C15A—H15B | 111.1 | C14B—C15B—H15D | 111.0 |
| C16A—C15A—H15B | 111.1 | C16B—C15B—H15D | 111.0 |
| H15A—C15A—H15B | 109.1 | H15C—C15B—H15D | 109.0 |
| C15A—C16A—C17A | 107.32 (14) | C15B—C16B—C17B | 106.46 (14) |
| C15A—C16A—H16A | 110.3 | C15B—C16B—H16C | 110.4 |
| C17A—C16A—H16A | 110.3 | C17B—C16B—H16C | 110.4 |
| C15A—C16A—H16B | 110.3 | C15B—C16B—H16D | 110.4 |
| C17A—C16A—H16B | 110.3 | C17B—C16B—H16D | 110.4 |
| H16A—C16A—H16B | 108.5 | H16C—C16B—H16D | 108.6 |
| C20A—C17A—C13A | 119.47 (13) | C20B—C17B—C16B | 111.98 (14) |
| C20A—C17A—C16A | 111.09 (14) | C20B—C17B—C13B | 121.36 (14) |
| C13A—C17A—C16A | 103.80 (14) | C16B—C17B—C13B | 102.77 (13) |
| C20A—C17A—H17A | 107.3 | C20B—C17B—H17B | 106.6 |
| C13A—C17A—H17A | 107.3 | C16B—C17B—H17B | 106.6 |
| C16A—C17A—H17A | 107.3 | C13B—C17B—H17B | 106.6 |
| C21A—C20A—C22A | 110.25 (16) | C21B—C20B—C22B | 111.07 (16) |
| C21A—C20A—C17A | 113.12 (15) | C21B—C20B—C17B | 112.43 (15) |
| C22A—C20A—C17A | 109.77 (14) | C22B—C20B—C17B | 109.43 (14) |
| C21A—C20A—H20A | 107.8 | C21B—C20B—H20B | 107.9 |
| C22A—C20A—H20A | 107.8 | C22B—C20B—H20B | 107.9 |
| C17A—C20A—H20A | 107.8 | C17B—C20B—H20B | 107.9 |
| C23A—C22A—C20A | 115.18 (15) | C23B—C22B—C20B | 116.35 (15) |
| C23A—C22A—H22A | 108.5 | C23B—C22B—H22C | 108.2 |
| C20A—C22A—H22A | 108.5 | C20B—C22B—H22C | 108.2 |
| C23A—C22A—H22B | 108.5 | C23B—C22B—H22D | 108.2 |
| C20A—C22A—H22B | 108.5 | C20B—C22B—H22D | 108.2 |
| H22A—C22A—H22B | 107.5 | H22C—C22B—H22D | 107.4 |
| C24A—C23A—C22A | 112.64 (15) | C22B—C23B—C24B | 112.19 (15) |
| C24A—C23A—H23A | 109.1 | C22B—C23B—H23C | 109.2 |
| C22A—C23A—H23A | 109.1 | C24B—C23B—H23C | 109.2 |
| C24A—C23A—H23B | 109.1 | C22B—C23B—H23D | 109.2 |
| C22A—C23A—H23B | 109.1 | C24B—C23B—H23D | 109.2 |
| H23A—C23A—H23B | 107.8 | H23C—C23B—H23D | 107.9 |
| C23A—C24A—C25A | 115.89 (15) | C23B—C24B—C25B | 115.87 (16) |
| C23A—C24A—H24A | 108.3 | C23B—C24B—H24C | 108.3 |
| C25A—C24A—H24A | 108.3 | C25B—C24B—H24C | 108.3 |
| C23A—C24A—H24B | 108.3 | C23B—C24B—H24D | 108.3 |
| C25A—C24A—H24B | 108.3 | C25B—C24B—H24D | 108.3 |
| H24A—C24A—H24B | 107.4 | H24C—C24B—H24D | 107.4 |
| C26A—C25A—C24A | 113.04 (18) | C27B—C25B—C26B | 110.6 (2) |
| C26A—C25A—C27A | 110.26 (17) | C27B—C25B—C24B | 111.18 (19) |
| C24A—C25A—C27A | 111.07 (15) | C26B—C25B—C24B | 112.1 (2) |
| C26A—C25A—H25A | 107.4 | C27B—C25B—H25B | 107.6 |
| C24A—C25A—H25A | 107.4 | C26B—C25B—H25B | 107.6 |
| C27A—C25A—H25A | 107.4 | C24B—C25B—H25B | 107.6 |
| C25A—C27A—H27A | 109.5 | C25B—C26B—H26D | 109.5 |
| C25A—C27A—H27B | 109.5 | C25B—C26B—H26E | 109.5 |
| H27A—C27A—H27B | 109.5 | H26D—C26B—H26E | 109.5 |
| C25A—C27A—H27C | 109.5 | C25B—C26B—H26F | 109.5 |
| H27A—C27A—H27C | 109.5 | H26D—C26B—H26F | 109.5 |
| H27B—C27A—H27C | 109.5 | H26E—C26B—H26F | 109.5 |
| C25A—C26A—H26A | 109.5 | C25B—C27B—H27D | 109.5 |
| C25A—C26A—H26B | 109.5 | C25B—C27B—H27E | 109.5 |
| H26A—C26A—H26B | 109.5 | H27D—C27B—H27E | 109.5 |
| C25A—C26A—H26C | 109.5 | C25B—C27B—H27F | 109.5 |
| H26A—C26A—H26C | 109.5 | H27D—C27B—H27F | 109.5 |
| H26B—C26A—H26C | 109.5 | H27E—C27B—H27F | 109.5 |
| C20A—C21A—H21A | 109.5 | C20B—C21B—H21D | 109.5 |
| C20A—C21A—H21B | 109.5 | C20B—C21B—H21E | 109.5 |
| H21A—C21A—H21B | 109.5 | H21D—C21B—H21E | 109.5 |
| C20A—C21A—H21C | 109.5 | C20B—C21B—H21F | 109.5 |
| H21A—C21A—H21C | 109.5 | H21D—C21B—H21F | 109.5 |
| H21B—C21A—H21C | 109.5 | H21E—C21B—H21F | 109.5 |
| C13A—C19A—H19A | 109.5 | C13B—C19B—H19D | 109.5 |
| C13A—C19A—H19B | 109.5 | C13B—C19B—H19E | 109.5 |
| H19A—C19A—H19B | 109.5 | H19D—C19B—H19E | 109.5 |
| C13A—C19A—H19C | 109.5 | C13B—C19B—H19F | 109.5 |
| H19A—C19A—H19C | 109.5 | H19D—C19B—H19F | 109.5 |
| H19B—C19A—H19C | 109.5 | H19E—C19B—H19F | 109.5 |
| C10A—C18A—H18A | 109.5 | C10B—C18B—H18D | 109.5 |
| C10A—C18A—H18B | 109.5 | C10B—C18B—H18E | 109.5 |
| H18A—C18A—H18B | 109.5 | H18D—C18B—H18E | 109.5 |
| C10A—C18A—H18C | 109.5 | C10B—C18B—H18F | 109.5 |
| H18A—C18A—H18C | 109.5 | H18D—C18B—H18F | 109.5 |
| H18B—C18A—H18C | 109.5 | H18E—C18B—H18F | 109.5 |
| C19A—C13A—C12A—C11A | −66.17 (19) | C19B—C13B—C12B—C11B | −66.9 (2) |
| C14A—C13A—C12A—C11A | 56.10 (17) | C14B—C13B—C12B—C11B | 56.03 (19) |
| C17A—C13A—C12A—C11A | 166.48 (14) | C17B—C13B—C12B—C11B | 165.30 (15) |
| C13A—C12A—C11A—C9A | −54.2 (2) | C13B—C12B—C11B—C9B | −56.5 (2) |
| C12A—C11A—C9A—C8A | 49.8 (2) | C12B—C11B—C9B—C8B | 52.1 (2) |
| C12A—C11A—C9A—C10A | 178.40 (15) | C12B—C11B—C9B—C10B | −179.56 (16) |
| C8A—C9A—C10A—C5A | −41.89 (19) | C11B—C9B—C10B—C5B | −172.31 (15) |
| C11A—C9A—C10A—C5A | −169.59 (15) | C8B—C9B—C10B—C5B | −44.5 (2) |
| C8A—C9A—C10A—C18A | 78.76 (17) | C11B—C9B—C10B—C18B | −52.0 (2) |
| C11A—C9A—C10A—C18A | −48.94 (19) | C8B—C9B—C10B—C18B | 75.82 (19) |
| C8A—C9A—C10A—C1A | −160.29 (13) | C11B—C9B—C10B—C1B | 69.22 (19) |
| C11A—C9A—C10A—C1A | 72.01 (17) | C8B—C9B—C10B—C1B | −162.93 (15) |
| C5A—C10A—C1A—C2A | 50.67 (18) | C5B—C10B—C1B—C2B | 47.4 (2) |
| C18A—C10A—C1A—C2A | −67.56 (19) | C18B—C10B—C1B—C2B | −71.1 (2) |
| C9A—C10A—C1A—C2A | 170.48 (14) | C9B—C10B—C1B—C2B | 166.53 (16) |
| C10A—C1A—C2A—C3A | −55.9 (2) | C10B—C1B—C2B—C3B | −56.2 (2) |
| C1A—C2A—C3A—C4A | 55.4 (2) | C1B—C2B—C3B—C4B | 59.5 (2) |
| C2A—C3A—C4A—C5A | −53.9 (2) | C2B—C3B—C4B—C5B | −58.1 (2) |
| C3A—C4A—C5A—C6A | −126.64 (19) | C3B—C4B—C5B—C6B | −124.47 (19) |
| C3A—C4A—C5A—C10A | 53.0 (2) | C3B—C4B—C5B—C10B | 53.8 (2) |
| C18A—C10A—C5A—C6A | −110.9 (2) | C18B—C10B—C5B—C6B | −108.9 (2) |
| C1A—C10A—C5A—C6A | 130.32 (18) | C1B—C10B—C5B—C6B | 131.66 (19) |
| C9A—C10A—C5A—C6A | 11.3 (2) | C9B—C10B—C5B—C6B | 13.3 (2) |
| C18A—C10A—C5A—C4A | 69.5 (2) | C18B—C10B—C5B—C4B | 72.8 (2) |
| C1A—C10A—C5A—C4A | −49.3 (2) | C1B—C10B—C5B—C4B | −46.6 (2) |
| C9A—C10A—C5A—C4A | −168.31 (15) | C9B—C10B—C5B—C4B | −164.98 (15) |
| C4A—C5A—C6A—C7A | −177.59 (18) | C4B—C5B—C6B—C7B | 179.78 (17) |
| C10A—C5A—C6A—C7A | 2.8 (3) | C10B—C5B—C6B—C7B | 1.6 (3) |
| C5A—C6A—C7A—C8A | 13.8 (3) | C5B—C6B—C7B—C8B | 14.7 (3) |
| C6A—C7A—C8A—C14A | −164.74 (15) | C6B—C7B—C8B—C14B | −164.85 (14) |
| C6A—C7A—C8A—C9A | −43.3 (2) | C6B—C7B—C8B—C9B | −44.5 (2) |
| C11A—C9A—C8A—C14A | −50.22 (18) | C11B—C9B—C8B—C14B | −49.27 (19) |
| C10A—C9A—C8A—C14A | −179.19 (13) | C10B—C9B—C8B—C14B | −178.07 (14) |
| C11A—C9A—C8A—C7A | −171.95 (14) | C11B—C9B—C8B—C7B | −169.70 (15) |
| C10A—C9A—C8A—C7A | 59.08 (18) | C10B—C9B—C8B—C7B | 61.50 (19) |
| C7A—C8A—C14A—C15A | −54.6 (2) | C7B—C8B—C14B—C15B | −58.9 (2) |
| C9A—C8A—C14A—C15A | −176.35 (14) | C9B—C8B—C14B—C15B | −179.11 (15) |
| C7A—C8A—C14A—C13A | −179.11 (15) | C7B—C8B—C14B—C13B | 176.03 (14) |
| C9A—C8A—C14A—C13A | 59.16 (18) | C9B—C8B—C14B—C13B | 55.80 (19) |
| C19A—C13A—C14A—C8A | 60.24 (19) | C19B—C13B—C14B—C8B | 63.10 (19) |
| C12A—C13A—C14A—C8A | −60.98 (18) | C12B—C13B—C14B—C8B | −58.53 (19) |
| C17A—C13A—C14A—C8A | 177.21 (14) | C17B—C13B—C14B—C8B | 179.78 (14) |
| C19A—C13A—C14A—C15A | −71.04 (17) | C19B—C13B—C14B—C15B | −68.64 (18) |
| C12A—C13A—C14A—C15A | 167.74 (14) | C12B—C13B—C14B—C15B | 169.73 (15) |
| C17A—C13A—C14A—C15A | 45.92 (16) | C17B—C13B—C14B—C15B | 48.03 (16) |
| C8A—C14A—C15A—C16A | −165.17 (14) | C8B—C14B—C15B—C16B | −164.14 (15) |
| C13A—C14A—C15A—C16A | −35.89 (17) | C13B—C14B—C15B—C16B | −33.27 (18) |
| C14A—C15A—C16A—C17A | 11.55 (18) | C14B—C15B—C16B—C17B | 4.96 (19) |
| C19A—C13A—C17A—C20A | −42.9 (2) | C15B—C16B—C17B—C20B | 156.30 (15) |
| C12A—C13A—C17A—C20A | 84.8 (2) | C15B—C16B—C17B—C13B | 24.47 (18) |
| C14A—C13A—C17A—C20A | −161.57 (15) | C19B—C13B—C17B—C20B | −51.0 (2) |
| C19A—C13A—C17A—C16A | 81.50 (16) | C14B—C13B—C17B—C20B | −169.59 (15) |
| C12A—C13A—C17A—C16A | −150.80 (15) | C12B—C13B—C17B—C20B | 76.9 (2) |
| C14A—C13A—C17A—C16A | −37.20 (16) | C19B—C13B—C17B—C16B | 74.95 (17) |
| C15A—C16A—C17A—C20A | 146.07 (15) | C14B—C13B—C17B—C16B | −43.61 (16) |
| C15A—C16A—C17A—C13A | 16.45 (18) | C12B—C13B—C17B—C16B | −157.09 (15) |
| C13A—C17A—C20A—C21A | −57.5 (2) | C16B—C17B—C20B—C21B | −177.56 (16) |
| C16A—C17A—C20A—C21A | −178.32 (15) | C13B—C17B—C20B—C21B | −55.9 (2) |
| C13A—C17A—C20A—C22A | 178.86 (15) | C16B—C17B—C20B—C22B | 58.5 (2) |
| C16A—C17A—C20A—C22A | 58.08 (19) | C13B—C17B—C20B—C22B | −179.80 (15) |
| C21A—C20A—C22A—C23A | 65.1 (2) | C21B—C20B—C22B—C23B | 52.2 (2) |
| C17A—C20A—C22A—C23A | −169.64 (16) | C17B—C20B—C22B—C23B | 176.93 (16) |
| C20A—C22A—C23A—C24A | 166.49 (17) | C20B—C22B—C23B—C24B | 167.99 (17) |
| C22A—C23A—C24A—C25A | 176.60 (17) | C22B—C23B—C24B—C25B | −173.25 (18) |
| C23A—C24A—C25A—C26A | 59.8 (2) | C23B—C24B—C25B—C27B | 173.0 (2) |
| C23A—C24A—C25A—C27A | −175.69 (18) | C23B—C24B—C25B—C26B | −62.6 (3) |