| Literature DB >> 21754105 |
Cheng-Xiang Yu, Yu-Lan Zhu, Zhao-Xiang Chen, Ming-Zhu Lu, Kun Wang.
Abstract
The asymmetric unit of the title compound, C(34)H(28)S(8), contains two crystallographically independent half-mol-ecules. The mol-ecules lie on centers of inversion. The four benzene rings of each mol-ecule are substantially twisted from the planes of the 1,3-dithiole rings, forming dihedral angles of 43.6 (2) and 61.4 (1)° in one mol-ecule and 54.2 (1) and 65.2 (1)° in the other.Entities:
Year: 2011 PMID: 21754105 PMCID: PMC3099894 DOI: 10.1107/S1600536811007823
Source DB: PubMed Journal: Acta Crystallogr Sect E Struct Rep Online ISSN: 1600-5368
| C34H28S8 | |
| Triclinic, | |
| Hall symbol: -P 1 | |
| Mo | |
| θ = 1.2–25.0° | |
| µ = 0.57 mm−1 | |
| α = 115.199 (2)° | |
| β = 95.238 (2)° | Needle, red |
| γ = 95.922 (2)° | 0.3 × 0.2 × 0.1 mm |
| Bruker SMART APEXII diffractometer | 5688 independent reflections |
| Radiation source: fine-focus sealed tube | 3518 reflections with |
| graphite | |
| Detector resolution: 10.0 pixels mm-1 | θmax = 25.0°, θmin = 1.2° |
| ω–scan | |
| Absorption correction: multi-scan ( | |
| 11631 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 | |
| 5688 reflections | (Δ/σ)max = 0.001 |
| 379 parameters | Δρmax = 0.32 e Å−3 |
| 0 restraints | Δρmin = −0.33 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 |
| S1 | 0.76116 (19) | 0.45649 (8) | 0.06508 (7) | 0.0626 (3) | |
| S2 | 0.7452 (2) | 0.41173 (8) | −0.10618 (7) | 0.0624 (3) | |
| S3 | 0.2978 (2) | 0.28449 (8) | −0.15494 (7) | 0.0675 (4) | |
| S4 | 0.30556 (19) | 0.33663 (8) | 0.03726 (7) | 0.0634 (3) | |
| S5 | 1.18791 (19) | 0.39890 (7) | 0.44406 (7) | 0.0604 (3) | |
| S6 | 1.37020 (19) | 0.51995 (7) | 0.61260 (7) | 0.0634 (3) | |
| S7 | 0.9859 (2) | 0.44729 (8) | 0.67531 (7) | 0.0707 (4) | |
| S8 | 0.77397 (19) | 0.31193 (7) | 0.48536 (8) | 0.0666 (4) | |
| C1 | 0.8989 (7) | 0.4720 (3) | −0.0086 (2) | 0.0521 (10) | |
| C2 | 0.5204 (7) | 0.3564 (3) | −0.0793 (3) | 0.0525 (10) | |
| C3 | 0.5289 (7) | 0.3773 (2) | −0.0010 (3) | 0.0503 (10) | |
| C4 | 0.4542 (9) | 0.1914 (3) | −0.2040 (3) | 0.0772 (14) | |
| H4A | 0.3542 | 0.1486 | −0.2525 | 0.093* | |
| H4B | 0.5966 | 0.2120 | −0.2192 | 0.093* | |
| C5 | 0.5204 (8) | 0.1480 (3) | −0.1528 (3) | 0.0588 (11) | |
| C6 | 0.3653 (9) | 0.0843 (3) | −0.1473 (3) | 0.0846 (16) | |
| H6 | 0.2151 | 0.0674 | −0.1773 | 0.101* | |
| C7 | 0.4232 (10) | 0.0452 (3) | −0.0998 (4) | 0.0864 (16) | |
| H7 | 0.3148 | 0.0020 | −0.0977 | 0.104* | |
| C8 | 0.6399 (11) | 0.0697 (4) | −0.0556 (4) | 0.0893 (16) | |
| H8 | 0.6809 | 0.0432 | −0.0229 | 0.107* | |
| C9 | 0.7975 (10) | 0.1321 (4) | −0.0583 (3) | 0.0893 (16) | |
| H9 | 0.9465 | 0.1485 | −0.0276 | 0.107* | |
| C10 | 0.7390 (8) | 0.1713 (3) | −0.1062 (3) | 0.0745 (14) | |
| H10 | 0.8490 | 0.2146 | −0.1074 | 0.089* | |
| C11 | 0.4694 (8) | 0.3179 (3) | 0.1146 (3) | 0.0768 (14) | |
| H11A | 0.5860 | 0.2803 | 0.0928 | 0.092* | |
| H11B | 0.5503 | 0.3730 | 0.1573 | 0.092* | |
| C12 | 0.2902 (7) | 0.2742 (3) | 0.1453 (3) | 0.0576 (11) | |
| C13 | 0.2587 (10) | 0.1853 (4) | 0.1199 (3) | 0.0823 (15) | |
| H13 | 0.3578 | 0.1525 | 0.0862 | 0.099* | |
| C14 | 0.0888 (10) | 0.1439 (3) | 0.1422 (3) | 0.0807 (15) | |
| H14 | 0.0690 | 0.0833 | 0.1236 | 0.097* | |
| C15 | −0.0532 (9) | 0.1920 (4) | 0.1922 (3) | 0.0787 (15) | |
| H15 | −0.1715 | 0.1637 | 0.2078 | 0.094* | |
| C16 | −0.0264 (9) | 0.2797 (4) | 0.2199 (3) | 0.0754 (14) | |
| H16 | −0.1243 | 0.3120 | 0.2544 | 0.090* | |
| C17 | 0.1477 (9) | 0.3207 (3) | 0.1963 (3) | 0.0734 (13) | |
| H17 | 0.1684 | 0.3814 | 0.2156 | 0.088* | |
| C18 | 1.4097 (7) | 0.4832 (2) | 0.5118 (2) | 0.0515 (10) | |
| C19 | 1.1169 (7) | 0.4427 (2) | 0.5933 (2) | 0.0524 (10) | |
| C20 | 1.0339 (7) | 0.3877 (2) | 0.5165 (3) | 0.0519 (10) | |
| C21 | 1.1842 (9) | 0.3938 (3) | 0.7156 (3) | 0.0731 (13) | |
| H21A | 1.3445 | 0.4247 | 0.7265 | 0.088* | |
| H21B | 1.1398 | 0.3982 | 0.7658 | 0.088* | |
| C22 | 1.1795 (7) | 0.2990 (3) | 0.6602 (2) | 0.0538 (10) | |
| C23 | 1.3551 (8) | 0.2731 (3) | 0.6152 (3) | 0.0731 (13) | |
| H23 | 1.4791 | 0.3147 | 0.6185 | 0.088* | |
| C24 | 1.3509 (10) | 0.1866 (4) | 0.5652 (3) | 0.0910 (17) | |
| H24 | 1.4714 | 0.1696 | 0.5345 | 0.109* | |
| C25 | 1.1736 (12) | 0.1262 (3) | 0.5603 (3) | 0.0902 (18) | |
| H25 | 1.1743 | 0.0673 | 0.5269 | 0.108* | |
| C26 | 0.9954 (9) | 0.1488 (3) | 0.6025 (3) | 0.0768 (15) | |
| H26 | 0.8715 | 0.1065 | 0.5979 | 0.092* | |
| C27 | 0.9989 (8) | 0.2348 (3) | 0.6522 (3) | 0.0738 (14) | |
| H27 | 0.8756 | 0.2508 | 0.6817 | 0.089* | |
| C28 | 0.8508 (9) | 0.2203 (3) | 0.4031 (3) | 0.0909 (18) | |
| H28A | 0.8838 | 0.2367 | 0.3610 | 0.109* | |
| H28B | 0.9915 | 0.2024 | 0.4206 | 0.109* | |
| C29 | 0.6469 (8) | 0.1459 (3) | 0.3725 (3) | 0.0634 (12) | |
| C30 | 0.4469 (9) | 0.1446 (3) | 0.3250 (3) | 0.0723 (13) | |
| H30 | 0.4372 | 0.1901 | 0.3104 | 0.087* | |
| C31 | 0.2629 (8) | 0.0768 (3) | 0.2992 (3) | 0.0754 (14) | |
| H31 | 0.1279 | 0.0763 | 0.2674 | 0.090* | |
| C32 | 0.2775 (9) | 0.0106 (3) | 0.3199 (3) | 0.0768 (14) | |
| H32 | 0.1516 | −0.0353 | 0.3024 | 0.092* | |
| C33 | 0.4706 (9) | 0.0101 (3) | 0.3652 (3) | 0.0744 (14) | |
| H33 | 0.4786 | −0.0358 | 0.3792 | 0.089* | |
| C34 | 0.6527 (9) | 0.0760 (3) | 0.3904 (3) | 0.0784 (14) | |
| H34 | 0.7873 | 0.0743 | 0.4210 | 0.094* |
| S1 | 0.0595 (7) | 0.0670 (7) | 0.0542 (7) | −0.0072 (5) | 0.0140 (5) | 0.0227 (6) |
| S2 | 0.0632 (7) | 0.0664 (7) | 0.0577 (7) | −0.0015 (6) | 0.0148 (5) | 0.0287 (6) |
| S3 | 0.0635 (7) | 0.0725 (8) | 0.0667 (8) | −0.0025 (6) | −0.0086 (6) | 0.0371 (7) |
| S4 | 0.0483 (6) | 0.0828 (8) | 0.0765 (8) | 0.0003 (6) | 0.0072 (5) | 0.0541 (7) |
| S5 | 0.0561 (7) | 0.0603 (7) | 0.0583 (7) | −0.0096 (5) | 0.0001 (5) | 0.0257 (6) |
| S6 | 0.0623 (7) | 0.0568 (7) | 0.0607 (7) | −0.0053 (5) | −0.0011 (6) | 0.0214 (6) |
| S7 | 0.0860 (9) | 0.0560 (7) | 0.0689 (8) | 0.0178 (6) | 0.0295 (7) | 0.0214 (6) |
| S8 | 0.0556 (7) | 0.0486 (6) | 0.0825 (8) | −0.0014 (5) | 0.0199 (6) | 0.0167 (6) |
| C1 | 0.051 (2) | 0.051 (2) | 0.056 (3) | 0.0040 (18) | 0.014 (2) | 0.025 (2) |
| C2 | 0.049 (2) | 0.054 (2) | 0.062 (3) | 0.0076 (19) | 0.010 (2) | 0.032 (2) |
| C3 | 0.046 (2) | 0.050 (2) | 0.060 (3) | 0.0034 (18) | 0.0080 (19) | 0.029 (2) |
| C4 | 0.092 (4) | 0.070 (3) | 0.055 (3) | 0.000 (3) | 0.001 (3) | 0.019 (3) |
| C5 | 0.066 (3) | 0.048 (2) | 0.055 (3) | 0.003 (2) | 0.011 (2) | 0.017 (2) |
| C6 | 0.068 (3) | 0.069 (3) | 0.105 (4) | −0.006 (3) | 0.008 (3) | 0.032 (3) |
| C7 | 0.092 (4) | 0.063 (3) | 0.118 (5) | 0.002 (3) | 0.027 (4) | 0.053 (3) |
| C8 | 0.097 (4) | 0.082 (4) | 0.103 (4) | 0.027 (3) | 0.025 (4) | 0.050 (3) |
| C9 | 0.074 (4) | 0.100 (4) | 0.103 (4) | 0.015 (3) | 0.005 (3) | 0.055 (4) |
| C10 | 0.060 (3) | 0.073 (3) | 0.088 (4) | −0.002 (2) | 0.012 (3) | 0.035 (3) |
| C11 | 0.063 (3) | 0.105 (4) | 0.085 (4) | 0.009 (3) | 0.006 (3) | 0.065 (3) |
| C12 | 0.057 (3) | 0.072 (3) | 0.055 (3) | 0.014 (2) | 0.009 (2) | 0.038 (2) |
| C13 | 0.104 (4) | 0.085 (4) | 0.081 (4) | 0.036 (3) | 0.042 (3) | 0.047 (3) |
| C14 | 0.116 (4) | 0.058 (3) | 0.083 (4) | 0.019 (3) | 0.038 (3) | 0.040 (3) |
| C15 | 0.085 (4) | 0.096 (4) | 0.079 (4) | 0.006 (3) | 0.020 (3) | 0.060 (3) |
| C16 | 0.086 (4) | 0.094 (4) | 0.063 (3) | 0.032 (3) | 0.032 (3) | 0.043 (3) |
| C17 | 0.091 (4) | 0.065 (3) | 0.063 (3) | 0.012 (3) | 0.007 (3) | 0.028 (3) |
| C18 | 0.054 (2) | 0.044 (2) | 0.060 (3) | 0.0030 (18) | 0.001 (2) | 0.028 (2) |
| C19 | 0.057 (2) | 0.043 (2) | 0.057 (3) | 0.0114 (19) | 0.011 (2) | 0.021 (2) |
| C20 | 0.052 (2) | 0.043 (2) | 0.061 (3) | 0.0092 (18) | 0.011 (2) | 0.023 (2) |
| C21 | 0.101 (4) | 0.065 (3) | 0.049 (3) | 0.011 (3) | 0.011 (2) | 0.021 (2) |
| C22 | 0.064 (3) | 0.060 (3) | 0.041 (2) | 0.008 (2) | 0.005 (2) | 0.027 (2) |
| C23 | 0.066 (3) | 0.073 (3) | 0.076 (3) | 0.003 (3) | 0.017 (3) | 0.030 (3) |
| C24 | 0.092 (4) | 0.086 (4) | 0.089 (4) | 0.035 (3) | 0.029 (3) | 0.026 (3) |
| C25 | 0.104 (5) | 0.059 (3) | 0.092 (4) | 0.009 (3) | −0.021 (4) | 0.026 (3) |
| C26 | 0.067 (3) | 0.064 (3) | 0.096 (4) | −0.017 (3) | −0.010 (3) | 0.043 (3) |
| C27 | 0.062 (3) | 0.093 (4) | 0.076 (3) | 0.003 (3) | 0.011 (2) | 0.048 (3) |
| C28 | 0.074 (3) | 0.074 (3) | 0.082 (4) | −0.020 (3) | 0.026 (3) | −0.001 (3) |
| C29 | 0.060 (3) | 0.060 (3) | 0.049 (3) | −0.004 (2) | 0.015 (2) | 0.006 (2) |
| C30 | 0.084 (3) | 0.060 (3) | 0.077 (3) | 0.009 (3) | 0.009 (3) | 0.035 (3) |
| C31 | 0.061 (3) | 0.066 (3) | 0.088 (4) | 0.003 (2) | −0.008 (3) | 0.028 (3) |
| C32 | 0.075 (3) | 0.059 (3) | 0.080 (4) | −0.006 (2) | 0.001 (3) | 0.021 (3) |
| C33 | 0.089 (4) | 0.053 (3) | 0.074 (3) | 0.001 (3) | −0.005 (3) | 0.027 (3) |
| C34 | 0.074 (3) | 0.079 (4) | 0.069 (3) | 0.012 (3) | −0.004 (3) | 0.022 (3) |
| S1—C3 | 1.742 (4) | C13—H13 | 0.9300 |
| S1—C1 | 1.750 (4) | C14—C15 | 1.356 (7) |
| S2—C2 | 1.756 (4) | C14—H14 | 0.9300 |
| S2—C1 | 1.757 (4) | C15—C16 | 1.344 (7) |
| S3—C2 | 1.735 (4) | C15—H15 | 0.9300 |
| S3—C4 | 1.837 (5) | C16—C17 | 1.372 (6) |
| S4—C3 | 1.745 (4) | C16—H16 | 0.9300 |
| S4—C11 | 1.813 (4) | C17—H17 | 0.9300 |
| S5—C20 | 1.749 (4) | C18—C18ii | 1.333 (7) |
| S5—C18 | 1.752 (4) | C19—C20 | 1.344 (6) |
| S6—C19 | 1.757 (4) | C21—C22 | 1.499 (6) |
| S6—C18 | 1.761 (4) | C21—H21A | 0.9700 |
| S7—C19 | 1.745 (4) | C21—H21B | 0.9700 |
| S7—C21 | 1.827 (5) | C22—C23 | 1.360 (6) |
| S8—C20 | 1.744 (4) | C22—C27 | 1.376 (6) |
| S8—C28 | 1.794 (5) | C23—C24 | 1.366 (7) |
| C1—C1i | 1.343 (7) | C23—H23 | 0.9300 |
| C2—C3 | 1.347 (6) | C24—C25 | 1.339 (7) |
| C4—C5 | 1.486 (6) | C24—H24 | 0.9300 |
| C4—H4A | 0.9700 | C25—C26 | 1.337 (7) |
| C4—H4B | 0.9700 | C25—H25 | 0.9300 |
| C5—C6 | 1.377 (6) | C26—C27 | 1.358 (7) |
| C5—C10 | 1.378 (6) | C26—H26 | 0.9300 |
| C6—C7 | 1.356 (7) | C27—H27 | 0.9300 |
| C6—H6 | 0.9300 | C28—C29 | 1.505 (6) |
| C7—C8 | 1.349 (7) | C28—H28A | 0.9700 |
| C7—H7 | 0.9300 | C28—H28B | 0.9700 |
| C8—C9 | 1.345 (7) | C29—C34 | 1.371 (7) |
| C8—H8 | 0.9300 | C29—C30 | 1.379 (6) |
| C9—C10 | 1.365 (7) | C30—C31 | 1.366 (6) |
| C9—H9 | 0.9300 | C30—H30 | 0.9300 |
| C10—H10 | 0.9300 | C31—C32 | 1.348 (6) |
| C11—C12 | 1.503 (6) | C31—H31 | 0.9300 |
| C11—H11A | 0.9700 | C32—C33 | 1.336 (6) |
| C11—H11B | 0.9700 | C32—H32 | 0.9300 |
| C12—C17 | 1.357 (6) | C33—C34 | 1.340 (6) |
| C12—C13 | 1.368 (6) | C33—H33 | 0.9300 |
| C13—C14 | 1.345 (6) | C34—H34 | 0.9300 |
| C3—S1—C1 | 95.58 (19) | C17—C16—H16 | 120.5 |
| C2—S2—C1 | 95.26 (19) | C12—C17—C16 | 121.1 (5) |
| C2—S3—C4 | 100.3 (2) | C12—C17—H17 | 119.4 |
| C3—S4—C11 | 102.9 (2) | C16—C17—H17 | 119.4 |
| C20—S5—C18 | 95.82 (19) | C18ii—C18—S5 | 122.4 (4) |
| C19—S6—C18 | 95.26 (18) | C18ii—C18—S6 | 123.4 (4) |
| C19—S7—C21 | 101.0 (2) | S5—C18—S6 | 114.2 (2) |
| C20—S8—C28 | 102.0 (2) | C20—C19—S7 | 125.4 (3) |
| C1i—C1—S1 | 122.5 (4) | C20—C19—S6 | 117.4 (3) |
| C1i—C1—S2 | 122.9 (4) | S7—C19—S6 | 117.1 (2) |
| S1—C1—S2 | 114.5 (2) | C19—C20—S8 | 123.9 (3) |
| C3—C2—S3 | 125.7 (3) | C19—C20—S5 | 117.2 (3) |
| C3—C2—S2 | 116.9 (3) | S8—C20—S5 | 118.8 (2) |
| S3—C2—S2 | 117.3 (2) | C22—C21—S7 | 113.2 (3) |
| C2—C3—S1 | 117.6 (3) | C22—C21—H21A | 108.9 |
| C2—C3—S4 | 123.0 (3) | S7—C21—H21A | 108.9 |
| S1—C3—S4 | 119.1 (2) | C22—C21—H21B | 108.9 |
| C5—C4—S3 | 113.3 (3) | S7—C21—H21B | 108.9 |
| C5—C4—H4A | 108.9 | H21A—C21—H21B | 107.8 |
| S3—C4—H4A | 108.9 | C23—C22—C27 | 117.2 (4) |
| C5—C4—H4B | 108.9 | C23—C22—C21 | 120.8 (4) |
| S3—C4—H4B | 108.9 | C27—C22—C21 | 122.0 (4) |
| H4A—C4—H4B | 107.7 | C22—C23—C24 | 120.6 (5) |
| C6—C5—C10 | 116.2 (5) | C22—C23—H23 | 119.7 |
| C6—C5—C4 | 122.2 (4) | C24—C23—H23 | 119.7 |
| C10—C5—C4 | 121.5 (4) | C25—C24—C23 | 120.1 (5) |
| C7—C6—C5 | 122.6 (5) | C25—C24—H24 | 120.0 |
| C7—C6—H6 | 118.7 | C23—C24—H24 | 120.0 |
| C5—C6—H6 | 118.7 | C26—C25—C24 | 121.3 (5) |
| C8—C7—C6 | 119.2 (5) | C26—C25—H25 | 119.3 |
| C8—C7—H7 | 120.4 | C24—C25—H25 | 119.3 |
| C6—C7—H7 | 120.4 | C25—C26—C27 | 118.7 (5) |
| C9—C8—C7 | 120.7 (6) | C25—C26—H26 | 120.7 |
| C9—C8—H8 | 119.7 | C27—C26—H26 | 120.7 |
| C7—C8—H8 | 119.7 | C26—C27—C22 | 122.0 (5) |
| C8—C9—C10 | 120.1 (5) | C26—C27—H27 | 119.0 |
| C8—C9—H9 | 120.0 | C22—C27—H27 | 119.0 |
| C10—C9—H9 | 120.0 | C29—C28—S8 | 108.6 (3) |
| C9—C10—C5 | 121.3 (5) | C29—C28—H28A | 110.0 |
| C9—C10—H10 | 119.3 | S8—C28—H28A | 110.0 |
| C5—C10—H10 | 119.3 | C29—C28—H28B | 110.0 |
| C12—C11—S4 | 106.2 (3) | S8—C28—H28B | 110.0 |
| C12—C11—H11A | 110.5 | H28A—C28—H28B | 108.3 |
| S4—C11—H11A | 110.5 | C34—C29—C30 | 117.1 (4) |
| C12—C11—H11B | 110.5 | C34—C29—C28 | 121.2 (5) |
| S4—C11—H11B | 110.5 | C30—C29—C28 | 121.7 (5) |
| H11A—C11—H11B | 108.7 | C31—C30—C29 | 120.3 (5) |
| C17—C12—C13 | 117.8 (4) | C31—C30—H30 | 119.9 |
| C17—C12—C11 | 121.4 (4) | C29—C30—H30 | 119.9 |
| C13—C12—C11 | 120.7 (4) | C32—C31—C30 | 119.9 (5) |
| C14—C13—C12 | 121.9 (5) | C32—C31—H31 | 120.1 |
| C14—C13—H13 | 119.0 | C30—C31—H31 | 120.1 |
| C12—C13—H13 | 119.0 | C33—C32—C31 | 120.8 (5) |
| C13—C14—C15 | 118.9 (5) | C33—C32—H32 | 119.6 |
| C13—C14—H14 | 120.5 | C31—C32—H32 | 119.6 |
| C15—C14—H14 | 120.5 | C32—C33—C34 | 119.9 (5) |
| C16—C15—C14 | 121.3 (5) | C32—C33—H33 | 120.1 |
| C16—C15—H15 | 119.4 | C34—C33—H33 | 120.1 |
| C14—C15—H15 | 119.4 | C33—C34—C29 | 122.1 (5) |
| C15—C16—C17 | 118.9 (5) | C33—C34—H34 | 119.0 |
| C15—C16—H16 | 120.5 | C29—C34—H34 | 119.0 |
| C3—S1—C1—C1i | −178.8 (5) | C20—S5—C18—C18ii | 177.2 (5) |
| C3—S1—C1—S2 | 3.6 (3) | C20—S5—C18—S6 | −3.6 (3) |
| C2—S2—C1—C1i | 178.7 (5) | C19—S6—C18—C18ii | −177.2 (5) |
| C2—S2—C1—S1 | −3.7 (3) | C19—S6—C18—S5 | 3.6 (3) |
| C4—S3—C2—C3 | −108.3 (4) | C21—S7—C19—C20 | 104.9 (4) |
| C4—S3—C2—S2 | 75.8 (3) | C21—S7—C19—S6 | −78.2 (3) |
| C1—S2—C2—C3 | 2.3 (4) | C18—S6—C19—C20 | −2.2 (4) |
| C1—S2—C2—S3 | 178.6 (2) | C18—S6—C19—S7 | −179.4 (2) |
| S3—C2—C3—S1 | −176.1 (2) | S7—C19—C20—S8 | 1.4 (6) |
| S2—C2—C3—S1 | −0.2 (5) | S6—C19—C20—S8 | −175.4 (2) |
| S3—C2—C3—S4 | −2.2 (6) | S7—C19—C20—S5 | 176.9 (2) |
| S2—C2—C3—S4 | 173.7 (2) | S6—C19—C20—S5 | 0.1 (5) |
| C1—S1—C3—C2 | −2.1 (4) | C28—S8—C20—C19 | −143.4 (4) |
| C1—S1—C3—S4 | −176.2 (2) | C28—S8—C20—S5 | 41.1 (3) |
| C11—S4—C3—C2 | 141.7 (4) | C18—S5—C20—C19 | 2.1 (4) |
| C11—S4—C3—S1 | −44.4 (3) | C18—S5—C20—S8 | 177.9 (2) |
| C2—S3—C4—C5 | 65.9 (4) | C19—S7—C21—C22 | −65.1 (4) |
| S3—C4—C5—C6 | 84.5 (5) | S7—C21—C22—C23 | 101.7 (5) |
| S3—C4—C5—C10 | −93.5 (5) | S7—C21—C22—C27 | −78.0 (5) |
| C10—C5—C6—C7 | −0.9 (8) | C27—C22—C23—C24 | −0.7 (7) |
| C4—C5—C6—C7 | −179.0 (5) | C21—C22—C23—C24 | 179.6 (4) |
| C5—C6—C7—C8 | 0.5 (9) | C22—C23—C24—C25 | −0.3 (8) |
| C6—C7—C8—C9 | 0.0 (9) | C23—C24—C25—C26 | 1.3 (9) |
| C7—C8—C9—C10 | 0.0 (9) | C24—C25—C26—C27 | −1.2 (8) |
| C8—C9—C10—C5 | −0.4 (8) | C25—C26—C27—C22 | 0.2 (7) |
| C6—C5—C10—C9 | 0.9 (7) | C23—C22—C27—C26 | 0.8 (7) |
| C4—C5—C10—C9 | 179.0 (5) | C21—C22—C27—C26 | −179.5 (4) |
| C3—S4—C11—C12 | −174.6 (3) | C20—S8—C28—C29 | 176.3 (4) |
| S4—C11—C12—C17 | −77.4 (5) | S8—C28—C29—C34 | −103.0 (5) |
| S4—C11—C12—C13 | 99.8 (5) | S8—C28—C29—C30 | 77.3 (5) |
| C17—C12—C13—C14 | 1.9 (7) | C34—C29—C30—C31 | 1.4 (7) |
| C11—C12—C13—C14 | −175.4 (5) | C28—C29—C30—C31 | −178.9 (4) |
| C12—C13—C14—C15 | −0.9 (8) | C29—C30—C31—C32 | −0.4 (8) |
| C13—C14—C15—C16 | −0.2 (8) | C30—C31—C32—C33 | −0.3 (8) |
| C14—C15—C16—C17 | 0.3 (8) | C31—C32—C33—C34 | −0.1 (8) |
| C13—C12—C17—C16 | −1.7 (7) | C32—C33—C34—C29 | 1.3 (8) |
| C11—C12—C17—C16 | 175.5 (4) | C30—C29—C34—C33 | −1.9 (7) |
| C15—C16—C17—C12 | 0.7 (7) | C28—C29—C34—C33 | 178.4 (4) |