| Literature DB >> 21523119 |
Omar Bin Shawkataly, Imthyaz Ahmed Khan, Siti Syaida Sirat, Chin Sing Yeap, Hoong-Kun Fun.
Abstract
The asymmetric unit of title compound, C(36)H(27)As, contains two crystallographically independent mol-ecules, A and B, with similar conformations. The two phenyl rings of each biphenyl unit are twisted slightly away from each other with dihedral angles of 6.0 (2), 27.7 (3) and 33.4 (2)° in mol-ecule A and 5.7 (3), 27.5 (2) and 33.0 (2)° in mol-ecule B. The As-bonded phenyl rings make dihedral angles of 54.9 (2), 76.0 (2) and 88.2 (2),° with each other in mol-ecule A, and 60.3 (2), 78.1 (2) and 79.5 (2)° in mol-ecule B. In the crystal, the mol-ecules are stacked down the b axis. Weak inter-molecular C-H⋯π inter-actions stabilize the crystal structure. The crystal studied was a racemic twin, the refined ratio of twin components being 0.461 (7):0.539 (7).Entities:
Year: 2011 PMID: 21523119 PMCID: PMC3051659 DOI: 10.1107/S160053681100211X
Source DB: PubMed Journal: Acta Crystallogr Sect E Struct Rep Online ISSN: 1600-5368
| C36H27As | |
| Monoclinic, | Mo |
| Hall symbol: P -2yc | Cell parameters from 4340 reflections |
| θ = 2.4–26.2° | |
| µ = 1.33 mm−1 | |
| β = 114.762 (5)° | Needle, colourless |
| 0.33 × 0.07 × 0.03 mm | |
| Bruker APEXII DUO CCD area-detector diffractometer | 11576 independent reflections |
| Radiation source: fine-focus sealed tube | 8126 reflections with |
| graphite | |
| φ and ω scans | θmax = 27.5°, θmin = 1.6° |
| Absorption correction: multi-scan ( | |
| 23087 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 | |
| 11576 reflections | Δρmax = 0.56 e Å−3 |
| 668 parameters | Δρmin = −0.75 e Å−3 |
| 2 restraints | Absolute structure: Flack (1983), 5634 Friedel pairs |
| Primary atom site location: structure-invariant direct methods | Flack parameter: 0.461 (7) |
| 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 esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds 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 > 2sigma(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. |
| As1A | 0.194411 (19) | 0.60795 (9) | 0.860597 (14) | 0.01986 (13) | |
| C1A | 0.0224 (3) | 0.2913 (8) | 0.90946 (16) | 0.0243 (10) | |
| H1A | −0.0305 | 0.3282 | 0.9081 | 0.029* | |
| C2A | 0.0615 (3) | 0.4369 (8) | 0.88744 (16) | 0.0239 (11) | |
| H2A | 0.0345 | 0.5701 | 0.8719 | 0.029* | |
| C3A | 0.1404 (3) | 0.3872 (9) | 0.88811 (19) | 0.0193 (13) | |
| C4A | 0.1800 (3) | 0.1885 (8) | 0.91370 (15) | 0.0215 (10) | |
| H4A | 0.2335 | 0.1527 | 0.9159 | 0.026* | |
| C5A | 0.1410 (3) | 0.0459 (7) | 0.93548 (15) | 0.0212 (10) | |
| H5A | 0.1687 | −0.0850 | 0.9520 | 0.025* | |
| C6A | 0.0607 (3) | 0.0928 (8) | 0.93336 (15) | 0.0176 (9) | |
| C7A | 0.0188 (3) | −0.0670 (8) | 0.95564 (16) | 0.0237 (10) | |
| C8A | 0.0649 (3) | −0.2009 (8) | 0.99967 (16) | 0.0273 (10) | |
| H8A | 0.1236 | −0.1876 | 1.0158 | 0.033* | |
| C9A | 0.0260 (3) | −0.3526 (8) | 1.02006 (18) | 0.0346 (12) | |
| H9A | 0.0585 | −0.4393 | 1.0495 | 0.042* | |
| C10A | −0.0613 (3) | −0.3752 (9) | 0.99666 (19) | 0.0397 (13) | |
| H10A | −0.0882 | −0.4741 | 1.0106 | 0.048* | |
| C11A | −0.1079 (4) | −0.2480 (10) | 0.9522 (2) | 0.0341 (14) | |
| H11A | −0.1664 | −0.2653 | 0.9357 | 0.041* | |
| C12A | −0.0698 (3) | −0.0975 (9) | 0.9320 (2) | 0.0288 (13) | |
| H12A | −0.1028 | −0.0137 | 0.9022 | 0.035* | |
| C13A | −0.0044 (3) | 0.9509 (8) | 0.73934 (16) | 0.0196 (10) | |
| H13A | −0.0294 | 1.0908 | 0.7370 | 0.024* | |
| C14A | 0.0582 (2) | 0.8804 (8) | 0.78741 (15) | 0.0231 (9) | |
| H14A | 0.0737 | 0.9741 | 0.8168 | 0.028* | |
| C15A | 0.0985 (3) | 0.6743 (8) | 0.79307 (18) | 0.0194 (11) | |
| C16A | 0.0697 (3) | 0.5329 (8) | 0.74858 (16) | 0.0224 (10) | |
| H16A | 0.0938 | 0.3914 | 0.7512 | 0.027* | |
| C17A | 0.0061 (3) | 0.6006 (8) | 0.70083 (16) | 0.0225 (9) | |
| H17A | −0.0130 | 0.5015 | 0.6723 | 0.027* | |
| C18A | −0.0302 (3) | 0.8138 (8) | 0.69438 (16) | 0.0200 (9) | |
| C19A | −0.0926 (2) | 0.8984 (8) | 0.64179 (15) | 0.0220 (9) | |
| C20A | −0.0917 (3) | 0.8198 (10) | 0.59537 (18) | 0.0487 (16) | |
| H20A | −0.0529 | 0.7098 | 0.5966 | 0.058* | |
| C21A | −0.1487 (4) | 0.9040 (11) | 0.54635 (19) | 0.063 (2) | |
| H21A | −0.1472 | 0.8511 | 0.5152 | 0.075* | |
| C22A | −0.2074 (3) | 1.0657 (10) | 0.54385 (18) | 0.0485 (16) | |
| H22A | −0.2457 | 1.1207 | 0.5112 | 0.058* | |
| C23A | −0.2088 (3) | 1.1427 (8) | 0.58916 (17) | 0.0283 (11) | |
| H23A | −0.2485 | 1.2503 | 0.5877 | 0.034* | |
| C24A | −0.1514 (3) | 1.0629 (8) | 0.63790 (17) | 0.0275 (11) | |
| H24A | −0.1523 | 1.1210 | 0.6688 | 0.033* | |
| C25A | 0.3887 (3) | 0.4234 (8) | 0.81806 (15) | 0.0216 (10) | |
| H25A | 0.4378 | 0.4963 | 0.8208 | 0.026* | |
| C26A | 0.3378 (3) | 0.5241 (8) | 0.83881 (15) | 0.0216 (10) | |
| H26A | 0.3535 | 0.6633 | 0.8552 | 0.026* | |
| C27A | 0.2637 (3) | 0.4242 (8) | 0.83604 (16) | 0.0189 (11) | |
| C28A | 0.2452 (3) | 0.2124 (8) | 0.81276 (16) | 0.0212 (10) | |
| H28A | 0.1971 | 0.1380 | 0.8111 | 0.025* | |
| C29A | 0.2958 (3) | 0.1095 (8) | 0.79215 (17) | 0.0216 (10) | |
| H29A | 0.2815 | −0.0329 | 0.7773 | 0.026* | |
| C30A | 0.3684 (3) | 0.2149 (8) | 0.79310 (15) | 0.0183 (9) | |
| C31A | 0.4232 (2) | 0.1064 (8) | 0.77069 (14) | 0.0181 (9) | |
| C32A | 0.3995 (3) | −0.0934 (8) | 0.74170 (16) | 0.0230 (10) | |
| H32A | 0.3476 | −0.1581 | 0.7358 | 0.028* | |
| C33A | 0.4514 (3) | −0.1994 (9) | 0.72121 (18) | 0.0281 (12) | |
| H33A | 0.4349 | −0.3348 | 0.7031 | 0.034* | |
| C34A | 0.5278 (3) | −0.1000 (8) | 0.72826 (15) | 0.0245 (10) | |
| H34A | 0.5625 | −0.1673 | 0.7144 | 0.029* | |
| C35A | 0.5515 (3) | 0.0987 (8) | 0.75584 (16) | 0.0279 (10) | |
| H35A | 0.6023 | 0.1661 | 0.7603 | 0.033* | |
| C36A | 0.5009 (3) | 0.2000 (8) | 0.77705 (16) | 0.0249 (10) | |
| H36A | 0.5189 | 0.3332 | 0.7960 | 0.030* | |
| As1B | 0.42591 (2) | −0.11085 (9) | 0.505294 (14) | 0.02100 (13) | |
| C1B | 0.5352 (3) | 0.1100 (9) | 0.40554 (17) | 0.0323 (11) | |
| H1BA | 0.5353 | 0.0548 | 0.3742 | 0.039* | |
| C2B | 0.4891 (3) | −0.0029 (8) | 0.42850 (16) | 0.0280 (11) | |
| H2BA | 0.4597 | −0.1328 | 0.4127 | 0.034* | |
| C3B | 0.4866 (3) | 0.0761 (9) | 0.4747 (2) | 0.0210 (12) | |
| C4B | 0.5299 (3) | 0.2709 (8) | 0.49691 (18) | 0.0355 (13) | |
| H4BA | 0.5277 | 0.3291 | 0.5274 | 0.043* | |
| C6B | 0.5810 (3) | 0.3018 (8) | 0.42787 (17) | 0.0195 (10) | |
| C7B | 0.6335 (3) | 0.4195 (8) | 0.40412 (15) | 0.0202 (9) | |
| C8B | 0.6727 (3) | 0.6205 (9) | 0.4241 (2) | 0.0333 (15) | |
| H8BA | 0.6664 | 0.6863 | 0.4526 | 0.040* | |
| C9B | 0.7224 (4) | 0.7278 (11) | 0.4019 (2) | 0.0391 (15) | |
| H9BA | 0.7491 | 0.8629 | 0.4161 | 0.047* | |
| C10B | 0.7315 (3) | 0.6348 (10) | 0.35979 (18) | 0.0393 (13) | |
| H10B | 0.7643 | 0.7062 | 0.3452 | 0.047* | |
| C11B | 0.6919 (3) | 0.4344 (9) | 0.33885 (18) | 0.0390 (13) | |
| H11B | 0.6979 | 0.3704 | 0.3100 | 0.047* | |
| C12B | 0.6430 (3) | 0.3281 (9) | 0.36081 (17) | 0.0336 (12) | |
| H12B | 0.6162 | 0.1934 | 0.3463 | 0.040* | |
| C13B | 0.3642 (2) | 0.2341 (7) | 0.61791 (15) | 0.0207 (10) | |
| H13B | 0.3783 | 0.2222 | 0.6541 | 0.025* | |
| C14B | 0.4049 (2) | 0.0969 (8) | 0.59546 (14) | 0.0205 (9) | |
| H14B | 0.4450 | −0.0065 | 0.6165 | 0.025* | |
| C15B | 0.3863 (3) | 0.1127 (8) | 0.54223 (17) | 0.0201 (11) | |
| C16B | 0.3278 (3) | 0.2738 (8) | 0.51198 (16) | 0.0238 (10) | |
| H16B | 0.3165 | 0.2906 | 0.4763 | 0.029* | |
| C17B | 0.2864 (3) | 0.4092 (8) | 0.53410 (16) | 0.0238 (10) | |
| H17B | 0.2472 | 0.5145 | 0.5130 | 0.029* | |
| C18B | 0.3027 (3) | 0.3896 (8) | 0.58774 (17) | 0.0187 (10) | |
| C19B | 0.2561 (3) | 0.5226 (8) | 0.61262 (16) | 0.0191 (10) | |
| C20B | 0.2213 (3) | 0.7349 (8) | 0.59293 (17) | 0.0265 (11) | |
| H20B | 0.2284 | 0.7958 | 0.5642 | 0.032* | |
| C21B | 0.1770 (3) | 0.8532 (8) | 0.61548 (18) | 0.0315 (11) | |
| H21B | 0.1543 | 0.9929 | 0.6020 | 0.038* | |
| C22B | 0.1660 (3) | 0.7640 (9) | 0.6586 (2) | 0.0331 (13) | |
| H22B | 0.1355 | 0.8438 | 0.6736 | 0.040* | |
| C23B | 0.2001 (3) | 0.5589 (8) | 0.67895 (18) | 0.0292 (11) | |
| H23B | 0.1936 | 0.5005 | 0.7081 | 0.035* | |
| C24B | 0.2442 (3) | 0.4392 (7) | 0.65571 (16) | 0.0219 (10) | |
| H24B | 0.2664 | 0.2993 | 0.6694 | 0.026* | |
| C25B | 0.6718 (3) | −0.3161 (8) | 0.61583 (16) | 0.0244 (10) | |
| H25B | 0.7279 | −0.2926 | 0.6215 | 0.029* | |
| C26B | 0.6075 (3) | −0.2017 (7) | 0.57495 (16) | 0.0219 (9) | |
| H26B | 0.6207 | −0.1031 | 0.5535 | 0.026* | |
| C27B | 0.5232 (3) | −0.2357 (8) | 0.56627 (18) | 0.0201 (11) | |
| C28B | 0.5052 (2) | −0.3878 (7) | 0.59828 (14) | 0.0194 (9) | |
| H28B | 0.4492 | −0.4162 | 0.5920 | 0.023* | |
| C29B | 0.5700 (3) | −0.4972 (8) | 0.63944 (16) | 0.0208 (10) | |
| H29B | 0.5569 | −0.5937 | 0.6613 | 0.025* | |
| C30B | 0.6540 (3) | −0.4650 (8) | 0.64851 (18) | 0.0215 (11) | |
| C31B | 0.7221 (3) | −0.5891 (8) | 0.69188 (15) | 0.0209 (9) | |
| C32B | 0.7091 (3) | −0.8021 (8) | 0.70683 (16) | 0.0267 (10) | |
| H32B | 0.6574 | −0.8733 | 0.6881 | 0.032* | |
| C33B | 0.7726 (3) | −0.9123 (9) | 0.74970 (17) | 0.0325 (12) | |
| H33B | 0.7627 | −1.0553 | 0.7593 | 0.039* | |
| C34B | 0.8492 (3) | −0.8102 (10) | 0.77748 (17) | 0.0338 (12) | |
| H34B | 0.8912 | −0.8830 | 0.8061 | 0.041* | |
| C35B | 0.8638 (3) | −0.5993 (10) | 0.76277 (17) | 0.0348 (12) | |
| H35B | 0.9159 | −0.5299 | 0.7812 | 0.042* | |
| C36B | 0.8010 (3) | −0.4914 (9) | 0.72080 (17) | 0.0272 (11) | |
| H36B | 0.8117 | −0.3486 | 0.7114 | 0.033* | |
| C56B | 0.5767 (3) | 0.3802 (9) | 0.47409 (19) | 0.0343 (12) | |
| H56A | 0.6061 | 0.5099 | 0.4901 | 0.041* |
| As1A | 0.0202 (3) | 0.0222 (3) | 0.0152 (3) | −0.0001 (3) | 0.0055 (2) | −0.0024 (3) |
| C1A | 0.022 (2) | 0.031 (3) | 0.021 (2) | 0.006 (2) | 0.010 (2) | 0.003 (2) |
| C2A | 0.022 (2) | 0.027 (3) | 0.021 (2) | 0.008 (2) | 0.0072 (18) | 0.0036 (19) |
| C3A | 0.021 (3) | 0.026 (3) | 0.010 (2) | −0.003 (2) | 0.006 (2) | −0.005 (2) |
| C4A | 0.018 (2) | 0.026 (3) | 0.018 (2) | 0.0065 (19) | 0.0052 (18) | 0.0014 (19) |
| C5A | 0.027 (2) | 0.020 (3) | 0.012 (2) | 0.0010 (19) | 0.0043 (18) | −0.0027 (17) |
| C6A | 0.020 (2) | 0.020 (3) | 0.010 (2) | −0.001 (2) | 0.0040 (17) | −0.0006 (19) |
| C7A | 0.025 (2) | 0.025 (3) | 0.022 (2) | −0.002 (2) | 0.0112 (19) | −0.002 (2) |
| C8A | 0.027 (2) | 0.028 (3) | 0.020 (2) | −0.001 (2) | 0.0039 (19) | 0.002 (2) |
| C9A | 0.038 (3) | 0.035 (3) | 0.028 (2) | 0.000 (2) | 0.011 (2) | 0.009 (2) |
| C10A | 0.043 (3) | 0.040 (3) | 0.038 (3) | −0.006 (3) | 0.018 (2) | 0.008 (3) |
| C11A | 0.029 (3) | 0.042 (4) | 0.034 (3) | −0.012 (3) | 0.016 (2) | 0.001 (3) |
| C12A | 0.019 (2) | 0.042 (4) | 0.021 (2) | 0.001 (3) | 0.004 (2) | 0.003 (2) |
| C13A | 0.024 (2) | 0.018 (3) | 0.020 (2) | 0.004 (2) | 0.012 (2) | 0.003 (2) |
| C14A | 0.026 (2) | 0.025 (3) | 0.021 (2) | −0.008 (2) | 0.0121 (18) | −0.009 (2) |
| C15A | 0.021 (2) | 0.020 (3) | 0.022 (2) | −0.004 (2) | 0.014 (2) | −0.003 (2) |
| C16A | 0.024 (2) | 0.021 (2) | 0.022 (2) | 0.0019 (19) | 0.0093 (19) | 0.0019 (19) |
| C17A | 0.030 (2) | 0.020 (2) | 0.018 (2) | 0.000 (2) | 0.0109 (18) | −0.006 (2) |
| C18A | 0.019 (2) | 0.019 (2) | 0.021 (2) | −0.0030 (18) | 0.0086 (19) | −0.0041 (19) |
| C19A | 0.021 (2) | 0.025 (2) | 0.019 (2) | 0.003 (2) | 0.0061 (17) | 0.001 (2) |
| C20A | 0.065 (4) | 0.054 (4) | 0.021 (2) | 0.035 (3) | 0.012 (2) | −0.002 (2) |
| C21A | 0.083 (4) | 0.076 (5) | 0.019 (3) | 0.048 (4) | 0.011 (3) | −0.001 (3) |
| C22A | 0.055 (3) | 0.058 (4) | 0.017 (2) | 0.023 (3) | 0.000 (2) | 0.004 (3) |
| C23A | 0.025 (2) | 0.033 (3) | 0.026 (2) | 0.008 (2) | 0.010 (2) | 0.005 (2) |
| C24A | 0.030 (3) | 0.033 (3) | 0.021 (2) | −0.001 (2) | 0.011 (2) | 0.000 (2) |
| C25A | 0.020 (2) | 0.030 (3) | 0.016 (2) | −0.001 (2) | 0.0076 (17) | 0.0003 (19) |
| C26A | 0.022 (2) | 0.022 (3) | 0.015 (2) | −0.0044 (19) | 0.0025 (18) | −0.0039 (19) |
| C27A | 0.022 (3) | 0.021 (3) | 0.008 (2) | −0.001 (2) | 0.0004 (19) | 0.0051 (19) |
| C28A | 0.020 (2) | 0.023 (3) | 0.020 (2) | −0.005 (2) | 0.0087 (19) | −0.003 (2) |
| C29A | 0.024 (2) | 0.020 (2) | 0.024 (3) | 0.002 (2) | 0.013 (2) | 0.001 (2) |
| C30A | 0.021 (2) | 0.024 (3) | 0.0082 (19) | 0.006 (2) | 0.0052 (17) | 0.0048 (19) |
| C31A | 0.021 (2) | 0.021 (2) | 0.0103 (18) | 0.000 (2) | 0.0048 (16) | 0.0037 (19) |
| C32A | 0.028 (2) | 0.020 (3) | 0.023 (2) | 0.000 (2) | 0.013 (2) | 0.001 (2) |
| C33A | 0.033 (3) | 0.031 (3) | 0.019 (2) | 0.000 (2) | 0.009 (2) | −0.006 (2) |
| C34A | 0.025 (2) | 0.035 (3) | 0.016 (2) | 0.007 (2) | 0.0110 (18) | 0.004 (2) |
| C35A | 0.025 (2) | 0.041 (3) | 0.023 (2) | −0.005 (2) | 0.0146 (19) | −0.004 (2) |
| C36A | 0.024 (2) | 0.032 (3) | 0.021 (2) | 0.000 (2) | 0.0116 (19) | −0.004 (2) |
| As1B | 0.0238 (3) | 0.0237 (3) | 0.0139 (2) | −0.0034 (3) | 0.0064 (2) | −0.0017 (3) |
| C1B | 0.048 (3) | 0.034 (3) | 0.021 (2) | −0.014 (3) | 0.020 (2) | −0.009 (2) |
| C2B | 0.036 (3) | 0.028 (3) | 0.018 (2) | −0.011 (2) | 0.009 (2) | −0.010 (2) |
| C3B | 0.024 (3) | 0.021 (3) | 0.016 (3) | 0.004 (2) | 0.006 (2) | 0.003 (2) |
| C4B | 0.069 (4) | 0.026 (3) | 0.023 (2) | −0.016 (3) | 0.031 (3) | −0.015 (2) |
| C6B | 0.024 (2) | 0.023 (3) | 0.013 (2) | 0.001 (2) | 0.0090 (19) | 0.001 (2) |
| C7B | 0.021 (2) | 0.024 (3) | 0.014 (2) | 0.001 (2) | 0.0065 (17) | 0.0011 (19) |
| C8B | 0.044 (4) | 0.034 (4) | 0.028 (3) | −0.008 (3) | 0.021 (3) | −0.005 (3) |
| C9B | 0.041 (3) | 0.044 (4) | 0.032 (3) | −0.005 (3) | 0.015 (3) | 0.007 (3) |
| C10B | 0.033 (3) | 0.056 (4) | 0.032 (3) | 0.003 (3) | 0.016 (2) | 0.014 (3) |
| C11B | 0.048 (3) | 0.052 (4) | 0.024 (2) | −0.005 (3) | 0.022 (2) | −0.001 (2) |
| C12B | 0.041 (3) | 0.039 (3) | 0.027 (2) | −0.003 (3) | 0.020 (2) | −0.004 (2) |
| C13B | 0.026 (2) | 0.025 (3) | 0.0091 (19) | 0.002 (2) | 0.0049 (17) | 0.0058 (18) |
| C14B | 0.021 (2) | 0.026 (2) | 0.0121 (18) | 0.002 (2) | 0.0037 (16) | 0.0028 (19) |
| C15B | 0.017 (2) | 0.026 (3) | 0.014 (2) | −0.005 (2) | 0.0028 (19) | −0.002 (2) |
| C16B | 0.027 (2) | 0.027 (3) | 0.014 (2) | −0.006 (2) | 0.0055 (19) | −0.002 (2) |
| C17B | 0.023 (2) | 0.026 (3) | 0.018 (2) | −0.002 (2) | 0.0034 (18) | 0.005 (2) |
| C18B | 0.015 (2) | 0.020 (2) | 0.020 (2) | −0.003 (2) | 0.0070 (18) | −0.001 (2) |
| C19B | 0.016 (2) | 0.022 (3) | 0.018 (2) | −0.0008 (19) | 0.0058 (18) | −0.0010 (19) |
| C20B | 0.031 (3) | 0.022 (3) | 0.025 (2) | −0.001 (2) | 0.010 (2) | 0.003 (2) |
| C21B | 0.033 (3) | 0.025 (3) | 0.033 (3) | 0.005 (2) | 0.012 (2) | −0.002 (2) |
| C22B | 0.033 (3) | 0.042 (4) | 0.029 (3) | 0.003 (3) | 0.018 (2) | −0.001 (3) |
| C23B | 0.028 (2) | 0.035 (3) | 0.027 (2) | −0.001 (2) | 0.014 (2) | 0.000 (2) |
| C24B | 0.024 (2) | 0.021 (3) | 0.022 (2) | 0.0000 (19) | 0.0108 (19) | 0.0031 (19) |
| C25B | 0.023 (2) | 0.024 (3) | 0.026 (2) | −0.002 (2) | 0.0107 (19) | −0.004 (2) |
| C26B | 0.027 (2) | 0.020 (2) | 0.020 (2) | −0.004 (2) | 0.0112 (19) | −0.0031 (19) |
| C27B | 0.025 (2) | 0.020 (3) | 0.016 (2) | 0.000 (2) | 0.009 (2) | −0.002 (2) |
| C28B | 0.022 (2) | 0.017 (2) | 0.0171 (19) | −0.006 (2) | 0.0051 (16) | −0.0068 (19) |
| C29B | 0.027 (2) | 0.017 (2) | 0.022 (2) | −0.0008 (19) | 0.014 (2) | −0.0042 (19) |
| C30B | 0.022 (2) | 0.019 (3) | 0.021 (2) | 0.000 (2) | 0.006 (2) | −0.002 (2) |
| C31B | 0.022 (2) | 0.026 (3) | 0.015 (2) | 0.005 (2) | 0.0089 (18) | −0.004 (2) |
| C32B | 0.030 (2) | 0.030 (3) | 0.024 (2) | 0.002 (2) | 0.015 (2) | 0.000 (2) |
| C33B | 0.043 (3) | 0.036 (3) | 0.028 (2) | 0.016 (3) | 0.023 (2) | 0.010 (2) |
| C34B | 0.032 (3) | 0.052 (4) | 0.020 (2) | 0.019 (3) | 0.014 (2) | 0.007 (2) |
| C35B | 0.027 (3) | 0.051 (4) | 0.028 (2) | 0.000 (3) | 0.013 (2) | −0.014 (3) |
| C36B | 0.027 (3) | 0.026 (3) | 0.025 (2) | 0.004 (2) | 0.008 (2) | −0.005 (2) |
| C56B | 0.053 (3) | 0.024 (3) | 0.037 (3) | −0.018 (3) | 0.030 (3) | −0.010 (2) |
| As1A—C3A | 1.947 (5) | As1B—C3B | 1.954 (5) |
| As1A—C27A | 1.949 (5) | As1B—C27B | 1.968 (5) |
| As1A—C15A | 1.955 (5) | As1B—C15B | 1.971 (5) |
| C1A—C6A | 1.382 (6) | C1B—C6B | 1.381 (6) |
| C1A—C2A | 1.391 (6) | C1B—C2B | 1.387 (6) |
| C1A—H1A | 0.9300 | C1B—H1BA | 0.9300 |
| C2A—C3A | 1.394 (6) | C2B—C3B | 1.383 (6) |
| C2A—H2A | 0.9300 | C2B—H2BA | 0.9300 |
| C3A—C4A | 1.403 (6) | C3B—C4B | 1.380 (7) |
| C4A—C5A | 1.373 (6) | C4B—C56B | 1.383 (6) |
| C4A—H4A | 0.9300 | C4B—H4BA | 0.9300 |
| C5A—C6A | 1.400 (6) | C6B—C56B | 1.395 (6) |
| C5A—H5A | 0.9300 | C6B—C7B | 1.503 (6) |
| C6A—C7A | 1.482 (6) | C7B—C8B | 1.374 (7) |
| C7A—C8A | 1.396 (6) | C7B—C12B | 1.390 (6) |
| C7A—C12A | 1.409 (6) | C8B—C9B | 1.405 (7) |
| C8A—C9A | 1.383 (6) | C8B—H8BA | 0.9300 |
| C8A—H8A | 0.9300 | C9B—C10B | 1.360 (7) |
| C9A—C10A | 1.384 (6) | C9B—H9BA | 0.9300 |
| C9A—H9A | 0.9300 | C10B—C11B | 1.379 (7) |
| C10A—C11A | 1.383 (7) | C10B—H10B | 0.9300 |
| C10A—H10A | 0.9300 | C11B—C12B | 1.387 (6) |
| C11A—C12A | 1.365 (7) | C11B—H11B | 0.9300 |
| C11A—H11A | 0.9300 | C12B—H12B | 0.9300 |
| C12A—H12A | 0.9300 | C13B—C14B | 1.387 (5) |
| C13A—C14A | 1.386 (6) | C13B—C18B | 1.396 (6) |
| C13A—C18A | 1.398 (6) | C13B—H13B | 0.9300 |
| C13A—H13A | 0.9300 | C14B—C15B | 1.376 (6) |
| C14A—C15A | 1.390 (6) | C14B—H14B | 0.9300 |
| C14A—H14A | 0.9300 | C15B—C16B | 1.393 (6) |
| C15A—C16A | 1.401 (6) | C16B—C17B | 1.384 (6) |
| C16A—C17A | 1.383 (5) | C16B—H16B | 0.9300 |
| C16A—H16A | 0.9300 | C17B—C18B | 1.397 (5) |
| C17A—C18A | 1.395 (6) | C17B—H17B | 0.9300 |
| C17A—H17A | 0.9300 | C18B—C19B | 1.493 (6) |
| C18A—C19A | 1.494 (5) | C19B—C24B | 1.387 (5) |
| C19A—C20A | 1.376 (6) | C19B—C20B | 1.409 (6) |
| C19A—C24A | 1.387 (6) | C20B—C21B | 1.372 (6) |
| C20A—C21A | 1.397 (7) | C20B—H20B | 0.9300 |
| C20A—H20A | 0.9300 | C21B—C22B | 1.391 (7) |
| C21A—C22A | 1.384 (7) | C21B—H21B | 0.9300 |
| C21A—H21A | 0.9300 | C22B—C23B | 1.372 (7) |
| C22A—C23A | 1.347 (6) | C22B—H22B | 0.9300 |
| C22A—H22A | 0.9300 | C23B—C24B | 1.387 (6) |
| C23A—C24A | 1.385 (6) | C23B—H23B | 0.9300 |
| C23A—H23A | 0.9300 | C24B—H24B | 0.9300 |
| C24A—H24A | 0.9300 | C25B—C26B | 1.391 (6) |
| C25A—C26A | 1.378 (6) | C25B—C30B | 1.392 (6) |
| C25A—C30A | 1.393 (6) | C25B—H25B | 0.9300 |
| C25A—H25A | 0.9300 | C26B—C27B | 1.397 (6) |
| C26A—C27A | 1.391 (6) | C26B—H26B | 0.9300 |
| C26A—H26A | 0.9300 | C27B—C28B | 1.392 (6) |
| C27A—C28A | 1.392 (6) | C28B—C29B | 1.384 (6) |
| C28A—C29A | 1.378 (6) | C28B—H28B | 0.9300 |
| C28A—H28A | 0.9300 | C29B—C30B | 1.387 (6) |
| C29A—C30A | 1.399 (6) | C29B—H29B | 0.9300 |
| C29A—H29A | 0.9300 | C30B—C31B | 1.483 (6) |
| C30A—C31A | 1.484 (6) | C31B—C32B | 1.382 (6) |
| C31A—C32A | 1.398 (6) | C31B—C36B | 1.394 (6) |
| C31A—C36A | 1.402 (6) | C32B—C33B | 1.401 (6) |
| C32A—C33A | 1.401 (6) | C32B—H32B | 0.9300 |
| C32A—H32A | 0.9300 | C33B—C34B | 1.370 (7) |
| C33A—C34A | 1.390 (6) | C33B—H33B | 0.9300 |
| C33A—H33A | 0.9300 | C34B—C35B | 1.376 (7) |
| C34A—C35A | 1.375 (6) | C34B—H34B | 0.9300 |
| C34A—H34A | 0.9300 | C35B—C36B | 1.376 (6) |
| C35A—C36A | 1.383 (6) | C35B—H35B | 0.9300 |
| C35A—H35A | 0.9300 | C36B—H36B | 0.9300 |
| C36A—H36A | 0.9300 | C56B—H56A | 0.9300 |
| C3A—As1A—C27A | 103.1 (2) | C3B—As1B—C27B | 99.4 (2) |
| C3A—As1A—C15A | 98.9 (2) | C3B—As1B—C15B | 102.1 (2) |
| C27A—As1A—C15A | 100.48 (18) | C27B—As1B—C15B | 99.78 (19) |
| C6A—C1A—C2A | 121.2 (4) | C6B—C1B—C2B | 122.0 (4) |
| C6A—C1A—H1A | 119.4 | C6B—C1B—H1BA | 119.0 |
| C2A—C1A—H1A | 119.4 | C2B—C1B—H1BA | 119.0 |
| C1A—C2A—C3A | 121.3 (4) | C3B—C2B—C1B | 120.6 (5) |
| C1A—C2A—H2A | 119.3 | C3B—C2B—H2BA | 119.7 |
| C3A—C2A—H2A | 119.3 | C1B—C2B—H2BA | 119.7 |
| C2A—C3A—C4A | 117.2 (5) | C4B—C3B—C2B | 118.4 (5) |
| C2A—C3A—As1A | 118.9 (4) | C4B—C3B—As1B | 125.3 (4) |
| C4A—C3A—As1A | 123.6 (4) | C2B—C3B—As1B | 116.1 (4) |
| C5A—C4A—C3A | 121.1 (4) | C3B—C4B—C56B | 120.4 (4) |
| C5A—C4A—H4A | 119.5 | C3B—C4B—H4BA | 119.8 |
| C3A—C4A—H4A | 119.5 | C56B—C4B—H4BA | 119.8 |
| C4A—C5A—C6A | 121.6 (4) | C1B—C6B—C56B | 116.5 (4) |
| C4A—C5A—H5A | 119.2 | C1B—C6B—C7B | 122.0 (4) |
| C6A—C5A—H5A | 119.2 | C56B—C6B—C7B | 121.5 (4) |
| C1A—C6A—C5A | 117.5 (4) | C8B—C7B—C12B | 118.0 (4) |
| C1A—C6A—C7A | 121.8 (4) | C8B—C7B—C6B | 121.3 (4) |
| C5A—C6A—C7A | 120.7 (4) | C12B—C7B—C6B | 120.6 (4) |
| C8A—C7A—C12A | 116.6 (4) | C7B—C8B—C9B | 120.9 (5) |
| C8A—C7A—C6A | 121.9 (4) | C7B—C8B—H8BA | 119.6 |
| C12A—C7A—C6A | 121.4 (4) | C9B—C8B—H8BA | 119.6 |
| C9A—C8A—C7A | 122.0 (4) | C10B—C9B—C8B | 120.2 (6) |
| C9A—C8A—H8A | 119.0 | C10B—C9B—H9BA | 119.9 |
| C7A—C8A—H8A | 119.0 | C8B—C9B—H9BA | 119.9 |
| C8A—C9A—C10A | 120.0 (4) | C9B—C10B—C11B | 119.8 (5) |
| C8A—C9A—H9A | 120.0 | C9B—C10B—H10B | 120.1 |
| C10A—C9A—H9A | 120.0 | C11B—C10B—H10B | 120.1 |
| C11A—C10A—C9A | 118.8 (5) | C10B—C11B—C12B | 120.0 (5) |
| C11A—C10A—H10A | 120.6 | C10B—C11B—H11B | 120.0 |
| C9A—C10A—H10A | 120.6 | C12B—C11B—H11B | 120.0 |
| C12A—C11A—C10A | 121.5 (5) | C11B—C12B—C7B | 121.1 (5) |
| C12A—C11A—H11A | 119.3 | C11B—C12B—H12B | 119.5 |
| C10A—C11A—H11A | 119.3 | C7B—C12B—H12B | 119.5 |
| C11A—C12A—C7A | 121.1 (5) | C14B—C13B—C18B | 121.8 (4) |
| C11A—C12A—H12A | 119.4 | C14B—C13B—H13B | 119.1 |
| C7A—C12A—H12A | 119.4 | C18B—C13B—H13B | 119.1 |
| C14A—C13A—C18A | 120.7 (4) | C15B—C14B—C13B | 120.4 (4) |
| C14A—C13A—H13A | 119.6 | C15B—C14B—H14B | 119.8 |
| C18A—C13A—H13A | 119.6 | C13B—C14B—H14B | 119.8 |
| C13A—C14A—C15A | 122.1 (4) | C14B—C15B—C16B | 118.5 (4) |
| C13A—C14A—H14A | 119.0 | C14B—C15B—As1B | 122.3 (4) |
| C15A—C14A—H14A | 119.0 | C16B—C15B—As1B | 118.5 (3) |
| C14A—C15A—C16A | 117.0 (4) | C17B—C16B—C15B | 121.2 (4) |
| C14A—C15A—As1A | 118.3 (3) | C17B—C16B—H16B | 119.4 |
| C16A—C15A—As1A | 124.6 (4) | C15B—C16B—H16B | 119.4 |
| C17A—C16A—C15A | 121.0 (4) | C16B—C17B—C18B | 120.8 (4) |
| C17A—C16A—H16A | 119.5 | C16B—C17B—H17B | 119.6 |
| C15A—C16A—H16A | 119.5 | C18B—C17B—H17B | 119.6 |
| C16A—C17A—C18A | 121.7 (4) | C13B—C18B—C17B | 117.2 (4) |
| C16A—C17A—H17A | 119.2 | C13B—C18B—C19B | 120.1 (4) |
| C18A—C17A—H17A | 119.2 | C17B—C18B—C19B | 122.7 (4) |
| C17A—C18A—C13A | 117.3 (4) | C24B—C19B—C20B | 117.4 (4) |
| C17A—C18A—C19A | 122.4 (4) | C24B—C19B—C18B | 120.9 (4) |
| C13A—C18A—C19A | 120.3 (4) | C20B—C19B—C18B | 121.7 (4) |
| C20A—C19A—C24A | 117.7 (4) | C21B—C20B—C19B | 121.0 (4) |
| C20A—C19A—C18A | 120.7 (4) | C21B—C20B—H20B | 119.5 |
| C24A—C19A—C18A | 121.6 (4) | C19B—C20B—H20B | 119.5 |
| C19A—C20A—C21A | 120.4 (5) | C20B—C21B—C22B | 120.0 (5) |
| C19A—C20A—H20A | 119.8 | C20B—C21B—H21B | 120.0 |
| C21A—C20A—H20A | 119.8 | C22B—C21B—H21B | 120.0 |
| C22A—C21A—C20A | 120.4 (5) | C23B—C22B—C21B | 120.2 (5) |
| C22A—C21A—H21A | 119.8 | C23B—C22B—H22B | 119.9 |
| C20A—C21A—H21A | 119.8 | C21B—C22B—H22B | 119.9 |
| C23A—C22A—C21A | 119.4 (5) | C22B—C23B—C24B | 119.5 (4) |
| C23A—C22A—H22A | 120.3 | C22B—C23B—H23B | 120.2 |
| C21A—C22A—H22A | 120.3 | C24B—C23B—H23B | 120.2 |
| C22A—C23A—C24A | 120.5 (5) | C19B—C24B—C23B | 121.8 (4) |
| C22A—C23A—H23A | 119.8 | C19B—C24B—H24B | 119.1 |
| C24A—C23A—H23A | 119.8 | C23B—C24B—H24B | 119.1 |
| C23A—C24A—C19A | 121.6 (4) | C26B—C25B—C30B | 121.4 (4) |
| C23A—C24A—H24A | 119.2 | C26B—C25B—H25B | 119.3 |
| C19A—C24A—H24A | 119.2 | C30B—C25B—H25B | 119.3 |
| C26A—C25A—C30A | 121.4 (4) | C25B—C26B—C27B | 119.7 (4) |
| C26A—C25A—H25A | 119.3 | C25B—C26B—H26B | 120.1 |
| C30A—C25A—H25A | 119.3 | C27B—C26B—H26B | 120.1 |
| C25A—C26A—C27A | 122.1 (4) | C28B—C27B—C26B | 118.9 (4) |
| C25A—C26A—H26A | 118.9 | C28B—C27B—As1B | 116.9 (3) |
| C27A—C26A—H26A | 118.9 | C26B—C27B—As1B | 123.7 (3) |
| C26A—C27A—C28A | 116.2 (4) | C29B—C28B—C27B | 120.7 (4) |
| C26A—C27A—As1A | 115.7 (4) | C29B—C28B—H28B | 119.6 |
| C28A—C27A—As1A | 127.9 (3) | C27B—C28B—H28B | 119.6 |
| C29A—C28A—C27A | 122.1 (4) | C28B—C29B—C30B | 120.9 (4) |
| C29A—C28A—H28A | 118.9 | C28B—C29B—H29B | 119.5 |
| C27A—C28A—H28A | 118.9 | C30B—C29B—H29B | 119.5 |
| C28A—C29A—C30A | 121.3 (4) | C29B—C30B—C25B | 118.3 (4) |
| C28A—C29A—H29A | 119.3 | C29B—C30B—C31B | 120.0 (4) |
| C30A—C29A—H29A | 119.3 | C25B—C30B—C31B | 121.7 (4) |
| C25A—C30A—C29A | 116.6 (4) | C32B—C31B—C36B | 117.1 (4) |
| C25A—C30A—C31A | 121.5 (4) | C32B—C31B—C30B | 121.7 (4) |
| C29A—C30A—C31A | 121.8 (4) | C36B—C31B—C30B | 121.1 (4) |
| C32A—C31A—C36A | 116.5 (4) | C31B—C32B—C33B | 121.0 (4) |
| C32A—C31A—C30A | 121.7 (4) | C31B—C32B—H32B | 119.5 |
| C36A—C31A—C30A | 121.8 (4) | C33B—C32B—H32B | 119.5 |
| C31A—C32A—C33A | 122.2 (4) | C34B—C33B—C32B | 120.2 (5) |
| C31A—C32A—H32A | 118.9 | C34B—C33B—H33B | 119.9 |
| C33A—C32A—H32A | 118.9 | C32B—C33B—H33B | 119.9 |
| C34A—C33A—C32A | 119.3 (5) | C33B—C34B—C35B | 119.6 (5) |
| C34A—C33A—H33A | 120.3 | C33B—C34B—H34B | 120.2 |
| C32A—C33A—H33A | 120.3 | C35B—C34B—H34B | 120.2 |
| C35A—C34A—C33A | 119.4 (4) | C36B—C35B—C34B | 119.9 (5) |
| C35A—C34A—H34A | 120.3 | C36B—C35B—H35B | 120.0 |
| C33A—C34A—H34A | 120.3 | C34B—C35B—H35B | 120.0 |
| C34A—C35A—C36A | 121.1 (4) | C35B—C36B—C31B | 122.1 (5) |
| C34A—C35A—H35A | 119.5 | C35B—C36B—H36B | 118.9 |
| C36A—C35A—H35A | 119.5 | C31B—C36B—H36B | 118.9 |
| C35A—C36A—C31A | 121.5 (4) | C4B—C56B—C6B | 122.0 (5) |
| C35A—C36A—H36A | 119.2 | C4B—C56B—H56A | 119.0 |
| C31A—C36A—H36A | 119.2 | C6B—C56B—H56A | 119.0 |
| C6A—C1A—C2A—C3A | 0.7 (7) | C6B—C1B—C2B—C3B | 0.9 (8) |
| C1A—C2A—C3A—C4A | −2.3 (7) | C1B—C2B—C3B—C4B | 0.9 (8) |
| C1A—C2A—C3A—As1A | −176.1 (3) | C1B—C2B—C3B—As1B | −175.8 (4) |
| C27A—As1A—C3A—C2A | −151.9 (3) | C27B—As1B—C3B—C4B | −70.3 (5) |
| C15A—As1A—C3A—C2A | −48.9 (4) | C15B—As1B—C3B—C4B | 31.9 (5) |
| C27A—As1A—C3A—C4A | 34.7 (4) | C27B—As1B—C3B—C2B | 106.1 (4) |
| C15A—As1A—C3A—C4A | 137.8 (4) | C15B—As1B—C3B—C2B | −151.6 (4) |
| C2A—C3A—C4A—C5A | 2.2 (6) | C2B—C3B—C4B—C56B | −1.8 (8) |
| As1A—C3A—C4A—C5A | 175.6 (3) | As1B—C3B—C4B—C56B | 174.6 (4) |
| C3A—C4A—C5A—C6A | −0.3 (6) | C2B—C1B—C6B—C56B | −1.7 (7) |
| C2A—C1A—C6A—C5A | 1.2 (6) | C2B—C1B—C6B—C7B | 177.7 (4) |
| C2A—C1A—C6A—C7A | −178.2 (4) | C1B—C6B—C7B—C8B | 174.3 (5) |
| C4A—C5A—C6A—C1A | −1.4 (6) | C56B—C6B—C7B—C8B | −6.3 (7) |
| C4A—C5A—C6A—C7A | 178.1 (4) | C1B—C6B—C7B—C12B | −5.1 (7) |
| C1A—C6A—C7A—C8A | −148.3 (4) | C56B—C6B—C7B—C12B | 174.3 (5) |
| C5A—C6A—C7A—C8A | 32.2 (6) | C12B—C7B—C8B—C9B | −1.2 (8) |
| C1A—C6A—C7A—C12A | 34.2 (7) | C6B—C7B—C8B—C9B | 179.3 (5) |
| C5A—C6A—C7A—C12A | −145.3 (5) | C7B—C8B—C9B—C10B | 0.7 (9) |
| C12A—C7A—C8A—C9A | −1.4 (7) | C8B—C9B—C10B—C11B | −0.1 (8) |
| C6A—C7A—C8A—C9A | −179.0 (4) | C9B—C10B—C11B—C12B | −0.1 (8) |
| C7A—C8A—C9A—C10A | 0.0 (7) | C10B—C11B—C12B—C7B | −0.4 (8) |
| C8A—C9A—C10A—C11A | 1.6 (8) | C8B—C7B—C12B—C11B | 1.1 (7) |
| C9A—C10A—C11A—C12A | −1.8 (8) | C6B—C7B—C12B—C11B | −179.5 (4) |
| C10A—C11A—C12A—C7A | 0.4 (9) | C18B—C13B—C14B—C15B | 0.9 (7) |
| C8A—C7A—C12A—C11A | 1.2 (8) | C13B—C14B—C15B—C16B | 1.9 (6) |
| C6A—C7A—C12A—C11A | 178.8 (5) | C13B—C14B—C15B—As1B | −168.8 (3) |
| C18A—C13A—C14A—C15A | 0.8 (7) | C3B—As1B—C15B—C14B | −124.3 (4) |
| C13A—C14A—C15A—C16A | −3.7 (6) | C27B—As1B—C15B—C14B | −22.4 (4) |
| C13A—C14A—C15A—As1A | 173.2 (3) | C3B—As1B—C15B—C16B | 64.9 (4) |
| C3A—As1A—C15A—C14A | 107.7 (4) | C27B—As1B—C15B—C16B | 166.8 (4) |
| C27A—As1A—C15A—C14A | −147.1 (4) | C14B—C15B—C16B—C17B | −2.7 (7) |
| C3A—As1A—C15A—C16A | −75.6 (4) | As1B—C15B—C16B—C17B | 168.4 (3) |
| C27A—As1A—C15A—C16A | 29.6 (4) | C15B—C16B—C17B—C18B | 0.6 (7) |
| C14A—C15A—C16A—C17A | 2.3 (6) | C14B—C13B—C18B—C17B | −2.9 (6) |
| As1A—C15A—C16A—C17A | −174.4 (3) | C14B—C13B—C18B—C19B | 175.7 (4) |
| C15A—C16A—C17A—C18A | 2.0 (6) | C16B—C17B—C18B—C13B | 2.1 (6) |
| C16A—C17A—C18A—C13A | −4.9 (6) | C16B—C17B—C18B—C19B | −176.4 (4) |
| C16A—C17A—C18A—C19A | 173.6 (4) | C13B—C18B—C19B—C24B | −27.3 (6) |
| C14A—C13A—C18A—C17A | 3.5 (6) | C17B—C18B—C19B—C24B | 151.1 (4) |
| C14A—C13A—C18A—C19A | −175.1 (4) | C13B—C18B—C19B—C20B | 153.7 (4) |
| C17A—C18A—C19A—C20A | −27.3 (7) | C17B—C18B—C19B—C20B | −27.8 (6) |
| C13A—C18A—C19A—C20A | 151.2 (5) | C24B—C19B—C20B—C21B | −0.4 (6) |
| C17A—C18A—C19A—C24A | 154.8 (4) | C18B—C19B—C20B—C21B | 178.6 (4) |
| C13A—C18A—C19A—C24A | −26.8 (6) | C19B—C20B—C21B—C22B | 0.2 (7) |
| C24A—C19A—C20A—C21A | −0.2 (8) | C20B—C21B—C22B—C23B | 0.6 (7) |
| C18A—C19A—C20A—C21A | −178.3 (5) | C21B—C22B—C23B—C24B | −1.1 (7) |
| C19A—C20A—C21A—C22A | −0.8 (10) | C20B—C19B—C24B—C23B | −0.2 (6) |
| C20A—C21A—C22A—C23A | 0.5 (10) | C18B—C19B—C24B—C23B | −179.1 (4) |
| C21A—C22A—C23A—C24A | 0.7 (9) | C22B—C23B—C24B—C19B | 0.9 (7) |
| C22A—C23A—C24A—C19A | −1.7 (8) | C30B—C25B—C26B—C27B | 0.1 (6) |
| C20A—C19A—C24A—C23A | 1.4 (7) | C25B—C26B—C27B—C28B | −1.3 (6) |
| C18A—C19A—C24A—C23A | 179.5 (4) | C25B—C26B—C27B—As1B | −173.0 (3) |
| C30A—C25A—C26A—C27A | 0.0 (6) | C3B—As1B—C27B—C28B | −178.3 (4) |
| C25A—C26A—C27A—C28A | 2.2 (6) | C15B—As1B—C27B—C28B | 77.6 (4) |
| C25A—C26A—C27A—As1A | −173.5 (3) | C3B—As1B—C27B—C26B | −6.4 (4) |
| C3A—As1A—C27A—C26A | −149.4 (3) | C15B—As1B—C27B—C26B | −110.5 (4) |
| C15A—As1A—C27A—C26A | 108.8 (3) | C26B—C27B—C28B—C29B | 2.5 (6) |
| C3A—As1A—C27A—C28A | 35.5 (4) | As1B—C27B—C28B—C29B | 174.8 (3) |
| C15A—As1A—C27A—C28A | −66.3 (4) | C27B—C28B—C29B—C30B | −2.6 (7) |
| C26A—C27A—C28A—C29A | −1.8 (6) | C28B—C29B—C30B—C25B | 1.3 (7) |
| As1A—C27A—C28A—C29A | 173.2 (3) | C28B—C29B—C30B—C31B | −178.2 (4) |
| C27A—C28A—C29A—C30A | −0.8 (6) | C26B—C25B—C30B—C29B | −0.1 (7) |
| C26A—C25A—C30A—C29A | −2.5 (6) | C26B—C25B—C30B—C31B | 179.5 (4) |
| C26A—C25A—C30A—C31A | 180.0 (4) | C29B—C30B—C31B—C32B | 31.7 (6) |
| C28A—C29A—C30A—C25A | 2.9 (6) | C25B—C30B—C31B—C32B | −147.8 (4) |
| C28A—C29A—C30A—C31A | −179.6 (4) | C29B—C30B—C31B—C36B | −145.6 (4) |
| C25A—C30A—C31A—C32A | −174.5 (4) | C25B—C30B—C31B—C36B | 34.9 (6) |
| C29A—C30A—C31A—C32A | 8.1 (6) | C36B—C31B—C32B—C33B | 0.8 (6) |
| C25A—C30A—C31A—C36A | 4.9 (6) | C30B—C31B—C32B—C33B | −176.6 (4) |
| C29A—C30A—C31A—C36A | −172.5 (4) | C31B—C32B—C33B—C34B | −0.3 (6) |
| C36A—C31A—C32A—C33A | 1.8 (6) | C32B—C33B—C34B—C35B | −0.5 (6) |
| C30A—C31A—C32A—C33A | −178.8 (4) | C33B—C34B—C35B—C36B | 0.8 (7) |
| C31A—C32A—C33A—C34A | −2.1 (7) | C34B—C35B—C36B—C31B | −0.3 (7) |
| C32A—C33A—C34A—C35A | 0.9 (7) | C32B—C31B—C36B—C35B | −0.5 (6) |
| C33A—C34A—C35A—C36A | 0.6 (6) | C30B—C31B—C36B—C35B | 176.9 (4) |
| C34A—C35A—C36A—C31A | −0.9 (7) | C3B—C4B—C56B—C6B | 1.0 (8) |
| C32A—C31A—C36A—C35A | −0.3 (6) | C1B—C6B—C56B—C4B | 0.7 (8) |
| C30A—C31A—C36A—C35A | −179.6 (4) | C7B—C6B—C56B—C4B | −178.7 (5) |
| Cg1, Cg2, Cg3, Cg4, Cg5, Cg6 and Cg7 are the centroids of the C25B–C30B, C19B–C24B, C7B–C12B, C31A–C36A, C1A–C6A, C31B–C36B and C13B–C18B benzene rings, respectively. |
| H··· | ||||
| C4B—H4BA···Cg1i | 0.93 | 2.77 | 3.583 (6) | 147 |
| C9A—H9A···Cg2ii | 0.93 | 2.99 | 3.872 (6) | 160 |
| C11A—H11A···Cg3iii | 0.93 | 2.88 | 3.723 (7) | 153 |
| C13B—H13B···Cg4 | 0.93 | 2.79 | 3.596 (5) | 147 |
| C14A—H14A···Cg5i | 0.93 | 2.93 | 3.834 (5) | 172 |
| C24A—H24A···Cg6iv | 0.93 | 2.70 | 3.582 (6) | 160 |
| C28B—H28B···Cg7v | 0.93 | 2.56 | 3.313 (6) | 139 |
| C36A—H36A···Cg3vi | 0.93 | 2.96 | 3.651 (6) | 133 |
Hydrogen-bond geometry (Å, °)
Cg1, Cg2, Cg3, Cg4, Cg5, Cg6 and Cg7 are the centroids of the C25B–C30B, C19B–C24B, C7B–C12B, C31A–C36A, C1A–C6A, C31B–C36B and C13B–C18B benzene rings, respectively.
| H⋯ | ||||
|---|---|---|---|---|
| C4 | 0.93 | 2.77 | 3.583 (6) | 147 |
| C9 | 0.93 | 2.99 | 3.872 (6) | 160 |
| C11 | 0.93 | 2.88 | 3.723 (7) | 153 |
| C13 | 0.93 | 2.79 | 3.596 (5) | 147 |
| C14 | 0.93 | 2.93 | 3.834 (5) | 172 |
| C24 | 0.93 | 2.70 | 3.582 (6) | 160 |
| C28 | 0.93 | 2.56 | 3.313 (6) | 139 |
| C36 | 0.93 | 2.96 | 3.651 (6) | 133 |
Symmetry codes: (i) ; (ii) ; (iii) ; (iv) ; (v) ; (vi) .