Supporting information
Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536802019517/om6116sup1.cif | |
Structure factor file (CIF format) https://doi.org/10.1107/S1600536802019517/om6116Isup2.hkl |
CCDC reference: 200790
Data collection: MSC/AFC Diffractometer Control Software (Molecular Structure Corporation, 1998); cell refinement: MSC/AFC Diffractometer Control Software; data reduction: TEXSAN (Molecular Structure Corporation, 1998); program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: TEXSAN; software used to prepare material for publication: TEXSAN.
C22H18N2O2S | F(000) = 784 |
Mr = 374.44 | Dx = 1.400 Mg m−3 |
Monoclinic, P21/n | Mo Kα radiation, λ = 0.71069 Å |
a = 12.2528 (18) Å | Cell parameters from 20 reflections |
b = 11.702 (2) Å | θ = 18.8–22.4° |
c = 13.263 (2) Å | µ = 0.20 mm−1 |
β = 110.915 (10)° | T = 296 K |
V = 1776.3 (5) Å3 | Prism, red |
Z = 4 | 0.60 × 0.50 × 0.50 mm |
Rigaku AFC-6S diffractometer | 2088 reflections with I > 2σ(I) |
Radiation source: normal-focus sealed tube | Rint = 0.032 |
Graphite monochromator | θmax = 27.5°, θmin = 1.9° |
\2θ/ω scans | h = 0→15 |
Absorption correction: ψ scan (North et al., 1968) | k = 0→15 |
Tmin = 0.888, Tmax = 0.903 | l = −17→16 |
4241 measured reflections | 3 standard reflections every 150 reflections |
4057 independent reflections | intensity decay: 0.5% |
Refinement on F2 | Primary atom site location: structure-invariant direct methods |
Least-squares matrix: full | Secondary atom site location: difference Fourier map |
R[F2 > 2σ(F2)] = 0.045 | Hydrogen site location: inferred from neighbouring sites |
wR(F2) = 0.143 | H-atom parameters constrained |
S = 1.01 | w = 1/[σ2(Fo2) + (0.0504P)2 + 1.155P] where P = (Fo2 + 2Fc2)/3 |
4057 reflections | (Δ/σ)max < 0.001 |
270 parameters | Δρmax = 0.30 e Å−3 |
7 restraints | Δρmin = −0.25 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 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 > σ(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. |
x | y | z | Uiso*/Ueq | Occ. (<1) | |
S1' | 0.34100 (6) | 0.52347 (7) | 0.50059 (6) | 0.0475 (2) | |
O1 | 0.13666 (15) | 0.24720 (17) | 0.59469 (14) | 0.0449 (5) | |
O11 | 0.30114 (18) | 0.3358 (2) | 0.61493 (19) | 0.0769 (8) | |
N3' | 0.13419 (19) | 0.56300 (19) | 0.35875 (18) | 0.0405 (5) | |
N15 | −0.19795 (18) | 0.0170 (2) | 0.54777 (18) | 0.0431 (6) | |
C2' | 0.1903 (2) | 0.4962 (2) | 0.4393 (2) | 0.0368 (6) | |
C2 | 0.1971 (2) | 0.3316 (3) | 0.5639 (2) | 0.0472 (7) | |
C3 | 0.1318 (2) | 0.4047 (2) | 0.4748 (2) | 0.0377 (6) | |
C4 | 0.0152 (2) | 0.3829 (2) | 0.4216 (2) | 0.0384 (6) | |
H4A | −0.0264 | 0.4291 | 0.3636 | 0.046* | |
C4' | 0.1766 (3) | 0.7253 (3) | 0.2590 (3) | 0.0508 (8) | |
H4'A | 0.0992 | 0.7323 | 0.2130 | 0.061* | |
C5' | 0.2608 (3) | 0.7972 (3) | 0.2491 (3) | 0.0613 (9) | |
H5'A | 0.2398 | 0.8536 | 0.1963 | 0.074* | |
C5 | −0.1611 (2) | 0.2648 (2) | 0.3964 (2) | 0.0416 (7) | |
H5A | −0.2047 | 0.3080 | 0.3368 | 0.050* | |
C6 | −0.2140 (2) | 0.1758 (2) | 0.4271 (2) | 0.0401 (6) | |
C6' | 0.3766 (3) | 0.7872 (3) | 0.3166 (3) | 0.0620 (9) | |
H6'A | 0.4319 | 0.8365 | 0.3075 | 0.074* | |
C7 | −0.1477 (2) | 0.1077 (2) | 0.5184 (2) | 0.0346 (6) | |
C7' | 0.4116 (3) | 0.7055 (3) | 0.3967 (3) | 0.0547 (8) | |
H7'A | 0.4895 | 0.6990 | 0.4414 | 0.066* | |
C8 | −0.0287 (2) | 0.1348 (2) | 0.57605 (19) | 0.0357 (6) | |
C8' | 0.3266 (2) | 0.6327 (2) | 0.4090 (2) | 0.0422 (6) | |
C9 | 0.0189 (2) | 0.2261 (2) | 0.5401 (2) | 0.0349 (6) | |
C9' | 0.2093 (2) | 0.6414 (2) | 0.3396 (2) | 0.0398 (6) | |
C10 | −0.0438 (2) | 0.2938 (2) | 0.4511 (2) | 0.0356 (6) | |
C12A | −0.3422 (4) | 0.1522 (4) | 0.3722 (4) | 0.0435 (12) | 0.740 (7) |
H12A | −0.3683 | 0.1783 | 0.2979 | 0.052* | 0.740 (7) |
H12B | −0.3864 | 0.1925 | 0.4089 | 0.052* | 0.740 (7) |
C13A | −0.3617 (4) | 0.0235 (4) | 0.3757 (4) | 0.0549 (14) | 0.740 (7) |
H13A | −0.4444 | 0.0068 | 0.3419 | 0.066* | 0.740 (7) |
H13B | −0.3209 | −0.0158 | 0.3352 | 0.066* | 0.740 (7) |
C14A | −0.3189 (5) | −0.0189 (7) | 0.4883 (7) | 0.051 (2) | 0.740 (7) |
H14A | −0.3691 | 0.0100 | 0.5250 | 0.062* | 0.740 (7) |
H14B | −0.3232 | −0.1016 | 0.4879 | 0.062* | 0.740 (7) |
C16A | −0.1384 (5) | −0.0492 (8) | 0.6467 (5) | 0.0558 (19) | 0.740 (7) |
H16A | −0.1919 | −0.0585 | 0.6851 | 0.067* | 0.740 (7) |
H16B | −0.1215 | −0.1247 | 0.6259 | 0.067* | 0.740 (7) |
C17A | −0.0325 (3) | −0.0013 (4) | 0.7191 (3) | 0.0449 (12) | 0.740 (7) |
H17A | 0.0125 | −0.0622 | 0.7648 | 0.054* | 0.740 (7) |
H17C | −0.0521 | 0.0528 | 0.7653 | 0.054* | 0.740 (7) |
C18A | 0.0446 (7) | 0.0585 (9) | 0.6693 (9) | 0.0415 (19) | 0.740 (7) |
H18A | 0.0861 | 0.0023 | 0.6428 | 0.050* | 0.740 (7) |
H18B | 0.1020 | 0.1046 | 0.7235 | 0.050* | 0.740 (7) |
C12B | −0.3312 (12) | 0.1218 (13) | 0.3457 (11) | 0.038 (4)* | 0.260 (7) |
H12C | −0.3797 | 0.1808 | 0.2999 | 0.045* | 0.260 (7) |
H12D | −0.3136 | 0.0653 | 0.3002 | 0.045* | 0.260 (7) |
C13B | −0.3948 (11) | 0.0659 (13) | 0.4132 (11) | 0.056 (4)* | 0.260 (7) |
H13C | −0.4167 | 0.1236 | 0.4550 | 0.067* | 0.260 (7) |
H13D | −0.4655 | 0.0288 | 0.3662 | 0.067* | 0.260 (7) |
C14B | −0.317 (2) | −0.019 (3) | 0.487 (3) | 0.115 (15)* | 0.260 (7) |
H14C | −0.3526 | −0.0440 | 0.5374 | 0.137* | 0.260 (7) |
H14D | −0.3128 | −0.0856 | 0.4439 | 0.137* | 0.260 (7) |
C16B | −0.1288 (11) | −0.0634 (19) | 0.6262 (14) | 0.030 (4)* | 0.260 (7) |
H16C | −0.1618 | −0.0692 | 0.6824 | 0.036* | 0.260 (7) |
H16D | −0.1379 | −0.1375 | 0.5914 | 0.036* | 0.260 (7) |
C17B | −0.0081 (9) | −0.0426 (10) | 0.6764 (10) | 0.039 (3)* | 0.260 (7) |
H17B | 0.0324 | −0.0914 | 0.6421 | 0.047* | 0.260 (7) |
H17D | 0.0146 | −0.0673 | 0.7509 | 0.047* | 0.260 (7) |
C18B | 0.037 (3) | 0.077 (2) | 0.677 (4) | 0.060 (12)* | 0.260 (7) |
H18C | 0.0291 | 0.1192 | 0.7369 | 0.072* | 0.260 (7) |
H18D | 0.1188 | 0.0746 | 0.6860 | 0.072* | 0.260 (7) |
U11 | U22 | U33 | U12 | U13 | U23 | |
S1' | 0.0402 (4) | 0.0505 (4) | 0.0461 (4) | −0.0103 (3) | 0.0085 (3) | 0.0004 (4) |
O1 | 0.0356 (10) | 0.0530 (12) | 0.0364 (10) | −0.0117 (9) | 0.0011 (8) | 0.0106 (9) |
O11 | 0.0446 (12) | 0.0920 (19) | 0.0688 (16) | −0.0256 (12) | −0.0107 (11) | 0.0304 (14) |
N3' | 0.0387 (12) | 0.0393 (13) | 0.0455 (13) | −0.0019 (10) | 0.0176 (10) | 0.0017 (11) |
N15 | 0.0381 (12) | 0.0451 (14) | 0.0410 (13) | −0.0077 (11) | 0.0081 (10) | 0.0065 (11) |
C2' | 0.0388 (13) | 0.0360 (15) | 0.0361 (14) | −0.0036 (11) | 0.0139 (11) | −0.0040 (11) |
C2 | 0.0403 (15) | 0.0534 (19) | 0.0409 (16) | −0.0129 (13) | 0.0060 (13) | 0.0040 (14) |
C3 | 0.0385 (13) | 0.0400 (15) | 0.0347 (14) | −0.0041 (11) | 0.0131 (11) | −0.0004 (11) |
C4 | 0.0360 (13) | 0.0441 (16) | 0.0335 (14) | 0.0044 (12) | 0.0104 (11) | 0.0069 (12) |
C4' | 0.0557 (17) | 0.0419 (17) | 0.0611 (19) | 0.0071 (14) | 0.0285 (15) | 0.0118 (15) |
C5' | 0.073 (2) | 0.0453 (19) | 0.079 (2) | 0.0031 (17) | 0.0446 (19) | 0.0117 (18) |
C5 | 0.0324 (13) | 0.0502 (17) | 0.0373 (15) | 0.0053 (12) | 0.0067 (11) | 0.0113 (13) |
C6 | 0.0304 (12) | 0.0475 (17) | 0.0391 (15) | −0.0008 (12) | 0.0083 (11) | 0.0067 (13) |
C6' | 0.076 (2) | 0.0433 (19) | 0.084 (2) | −0.0193 (17) | 0.050 (2) | −0.0075 (18) |
C7 | 0.0343 (13) | 0.0383 (15) | 0.0318 (14) | 0.0003 (11) | 0.0126 (11) | 0.0007 (11) |
C7' | 0.0535 (18) | 0.0475 (18) | 0.069 (2) | −0.0146 (15) | 0.0295 (16) | −0.0136 (17) |
C8 | 0.0367 (13) | 0.0408 (15) | 0.0277 (13) | −0.0009 (11) | 0.0090 (11) | 0.0012 (11) |
C8' | 0.0486 (15) | 0.0365 (15) | 0.0480 (17) | −0.0065 (12) | 0.0250 (13) | −0.0090 (13) |
C9 | 0.0304 (12) | 0.0416 (15) | 0.0287 (12) | −0.0014 (11) | 0.0060 (10) | −0.0022 (11) |
C9' | 0.0445 (15) | 0.0339 (14) | 0.0490 (16) | −0.0011 (12) | 0.0263 (13) | −0.0040 (13) |
C10 | 0.0319 (12) | 0.0413 (15) | 0.0322 (13) | −0.0006 (11) | 0.0095 (11) | 0.0017 (12) |
C12A | 0.031 (2) | 0.053 (3) | 0.042 (3) | −0.002 (2) | 0.0069 (18) | −0.002 (2) |
C13A | 0.041 (2) | 0.061 (3) | 0.050 (3) | −0.015 (2) | 0.0008 (19) | −0.010 (2) |
C14A | 0.029 (2) | 0.045 (3) | 0.065 (4) | −0.0176 (18) | 0.0002 (17) | 0.017 (2) |
C16A | 0.063 (3) | 0.061 (4) | 0.049 (4) | 0.003 (3) | 0.027 (3) | 0.019 (3) |
C17A | 0.048 (2) | 0.046 (3) | 0.037 (2) | 0.0038 (18) | 0.0099 (17) | 0.0128 (18) |
C18A | 0.033 (3) | 0.047 (3) | 0.036 (3) | −0.001 (3) | 0.002 (2) | 0.012 (3) |
S1'—C8' | 1.729 (3) | C8—C18A | 1.530 (9) |
S1'—C2' | 1.761 (3) | C8'—C9' | 1.406 (4) |
O1—C2 | 1.381 (3) | C9—C10 | 1.402 (3) |
O1—C9 | 1.386 (3) | C12A—C13A | 1.528 (6) |
O11—C2 | 1.212 (3) | C12A—H12A | 0.9700 |
N3'—C2' | 1.304 (3) | C12A—H12B | 0.9700 |
N3'—C9' | 1.386 (3) | C13A—C14A | 1.481 (8) |
N15—C7 | 1.352 (3) | C13A—H13A | 0.9700 |
N15—C16B | 1.43 (2) | C13A—H13B | 0.9700 |
N15—C14B | 1.45 (3) | C14A—H14A | 0.9700 |
N15—C14A | 1.470 (6) | C14A—H14B | 0.9700 |
N15—C16A | 1.473 (7) | C16A—C17A | 1.425 (6) |
C2'—C3 | 1.457 (4) | C16A—H16A | 0.9700 |
C2—C3 | 1.448 (4) | C16A—H16B | 0.9700 |
C3—C4 | 1.373 (3) | C17A—C18A | 1.505 (9) |
C4—C10 | 1.401 (4) | C17A—H17A | 0.9700 |
C4—H4A | 0.9300 | C17A—H17C | 0.9700 |
C4'—C5' | 1.373 (4) | C18A—H18A | 0.9700 |
C4'—C9' | 1.401 (4) | C18A—H18B | 0.9700 |
C4'—H4'A | 0.9300 | C12B—C13B | 1.528 (14) |
C5'—C6' | 1.386 (5) | C12B—H12C | 0.9700 |
C5'—H5'A | 0.9300 | C12B—H12D | 0.9700 |
C5—C6 | 1.363 (4) | C13B—C14B | 1.481 (17) |
C5—C10 | 1.402 (3) | C13B—H13C | 0.9700 |
C5—H5A | 0.9300 | C13B—H13D | 0.9700 |
C6—C7 | 1.435 (4) | C14B—H14C | 0.9700 |
C6—C12A | 1.502 (5) | C14B—H14D | 0.9700 |
C6—C12B | 1.587 (15) | C16B—C17B | 1.409 (13) |
C6'—C7' | 1.379 (5) | C16B—H16C | 0.9700 |
C6'—H6'A | 0.9300 | C16B—H16D | 0.9700 |
C7—C8 | 1.420 (3) | C17B—C18B | 1.502 (18) |
C7'—C8' | 1.400 (4) | C17B—H17B | 0.9700 |
C7'—H7'A | 0.9300 | C17B—H17D | 0.9700 |
C8—C9 | 1.380 (4) | C18B—H18C | 0.9700 |
C8—C18B | 1.46 (4) | C18B—H18D | 0.9700 |
C8'—S1'—C2' | 88.96 (13) | H12A—C12A—H12B | 108.4 |
C2—O1—C9 | 122.8 (2) | C14A—C13A—C12A | 110.9 (5) |
C2'—N3'—C9' | 110.9 (2) | C14A—C13A—H13A | 109.5 |
C7—N15—C16B | 120.8 (6) | C12A—C13A—H13A | 109.5 |
C7—N15—C14B | 122.4 (9) | C14A—C13A—H13B | 109.5 |
C16B—N15—C14B | 115.3 (11) | C12A—C13A—H13B | 109.5 |
C7—N15—C14A | 123.0 (3) | H13A—C13A—H13B | 108.0 |
C16B—N15—C14A | 115.1 (7) | N15—C14A—C13A | 111.8 (4) |
C7—N15—C16A | 122.5 (3) | N15—C14A—H14A | 109.2 |
C14B—N15—C16A | 115.0 (10) | C13A—C14A—H14A | 109.2 |
C14A—N15—C16A | 114.4 (3) | N15—C14A—H14B | 109.2 |
N3'—C2'—C3 | 121.9 (2) | C13A—C14A—H14B | 109.2 |
N3'—C2'—S1' | 115.43 (19) | H14A—C14A—H14B | 107.9 |
C3—C2'—S1' | 122.6 (2) | C17A—C16A—N15 | 115.9 (5) |
O11—C2—O1 | 115.6 (3) | C17A—C16A—H16A | 108.3 |
O11—C2—C3 | 126.6 (3) | N15—C16A—H16A | 108.3 |
O1—C2—C3 | 117.8 (2) | C17A—C16A—H16B | 108.3 |
C4—C3—C2 | 118.7 (2) | N15—C16A—H16B | 108.3 |
C4—C3—C2' | 120.8 (2) | H16A—C16A—H16B | 107.4 |
C2—C3—C2' | 120.4 (2) | C16A—C17A—C18A | 116.8 (5) |
C3—C4—C10 | 122.8 (2) | C16A—C17A—H17A | 108.1 |
C3—C4—H4A | 118.6 | C18A—C17A—H17A | 108.1 |
C10—C4—H4A | 118.6 | C16A—C17A—H17C | 108.1 |
C5'—C4'—C9' | 118.8 (3) | C18A—C17A—H17C | 108.1 |
C5'—C4'—H4'A | 120.6 | H17A—C17A—H17C | 107.3 |
C9'—C4'—H4'A | 120.6 | C17A—C18A—C8 | 110.3 (6) |
C4'—C5'—C6' | 121.2 (3) | C17A—C18A—H18A | 109.6 |
C4'—C5'—H5'A | 119.4 | C8—C18A—H18A | 109.6 |
C6'—C5'—H5'A | 119.4 | C17A—C18A—H18B | 109.6 |
C6—C5—C10 | 122.7 (2) | C8—C18A—H18B | 109.6 |
C6—C5—H5A | 118.7 | H18A—C18A—H18B | 108.1 |
C10—C5—H5A | 118.7 | C13B—C12B—C6 | 107.4 (10) |
C5—C6—C7 | 119.4 (2) | C13B—C12B—H12C | 110.2 |
C5—C6—C12A | 121.5 (3) | C6—C12B—H12C | 110.2 |
C7—C6—C12A | 119.0 (3) | C13B—C12B—H12D | 110.2 |
C5—C6—C12B | 120.8 (5) | C6—C12B—H12D | 110.2 |
C7—C6—C12B | 117.0 (5) | H12C—C12B—H12D | 108.5 |
C7'—C6'—C5' | 121.4 (3) | C14B—C13B—C12B | 109.2 (17) |
C7'—C6'—H6'A | 119.3 | C14B—C13B—H13C | 109.8 |
C5'—C6'—H6'A | 119.3 | C12B—C13B—H13C | 109.8 |
N15—C7—C8 | 120.4 (2) | C14B—C13B—H13D | 109.8 |
N15—C7—C6 | 120.1 (2) | C12B—C13B—H13D | 109.8 |
C8—C7—C6 | 119.5 (2) | H13C—C13B—H13D | 108.3 |
C6'—C7'—C8' | 118.2 (3) | N15—C14B—C13B | 117 (2) |
C6'—C7'—H7'A | 120.9 | N15—C14B—H14C | 108.1 |
C8'—C7'—H7'A | 120.9 | C13B—C14B—H14C | 108.1 |
C9—C8—C7 | 117.8 (2) | N15—C14B—H14D | 108.1 |
C9—C8—C18B | 121.0 (8) | C13B—C14B—H14D | 108.1 |
C7—C8—C18B | 120.8 (9) | H14C—C14B—H14D | 107.3 |
C9—C8—C18A | 122.1 (3) | C17B—C16B—N15 | 118.6 (15) |
C7—C8—C18A | 119.9 (3) | C17B—C16B—H16C | 107.7 |
C7'—C8'—C9' | 120.6 (3) | N15—C16B—H16C | 107.7 |
C7'—C8'—S1' | 129.7 (2) | C17B—C16B—H16D | 107.7 |
C9'—C8'—S1' | 109.7 (2) | N15—C16B—H16D | 107.7 |
C8—C9—O1 | 116.6 (2) | H16C—C16B—H16D | 107.1 |
C8—C9—C10 | 123.8 (2) | C16B—C17B—C18B | 118.9 (17) |
O1—C9—C10 | 119.6 (2) | C16B—C17B—H17B | 107.6 |
N3'—C9'—C4' | 125.1 (3) | C18B—C17B—H17B | 107.6 |
N3'—C9'—C8' | 115.0 (3) | C16B—C17B—H17D | 107.6 |
C4'—C9'—C8' | 119.8 (3) | C18B—C17B—H17D | 107.6 |
C4—C10—C5 | 124.9 (2) | H17B—C17B—H17D | 107.0 |
C4—C10—C9 | 118.3 (2) | C8—C18B—C17B | 110 (2) |
C5—C10—C9 | 116.8 (2) | C8—C18B—H18C | 109.6 |
C6—C12A—C13A | 108.3 (4) | C17B—C18B—H18C | 109.6 |
C6—C12A—H12A | 110.0 | C8—C18B—H18D | 109.6 |
C13A—C12A—H12A | 110.0 | C17B—C18B—H18D | 109.6 |
C6—C12A—H12B | 110.0 | H18C—C18B—H18D | 108.1 |
C13A—C12A—H12B | 110.0 | ||
C9'—N3'—C2'—C3 | −178.9 (2) | C2—O1—C9—C10 | −1.5 (4) |
C9'—N3'—C2'—S1' | 0.5 (3) | C2'—N3'—C9'—C4' | −179.8 (3) |
C8'—S1'—C2'—N3' | −0.6 (2) | C2'—N3'—C9'—C8' | −0.1 (3) |
C8'—S1'—C2'—C3 | 178.8 (2) | C5'—C4'—C9'—N3' | −179.8 (3) |
C9—O1—C2—O11 | −175.6 (3) | C5'—C4'—C9'—C8' | 0.5 (4) |
C9—O1—C2—C3 | 3.8 (4) | C7'—C8'—C9'—N3' | 178.7 (3) |
O11—C2—C3—C4 | 175.8 (3) | S1'—C8'—C9'—N3' | −0.4 (3) |
O1—C2—C3—C4 | −3.6 (4) | C7'—C8'—C9'—C4' | −1.5 (4) |
O11—C2—C3—C2' | −1.3 (5) | S1'—C8'—C9'—C4' | 179.4 (2) |
O1—C2—C3—C2' | 179.2 (2) | C3—C4—C10—C5 | −176.9 (3) |
N3'—C2'—C3—C4 | 2.4 (4) | C3—C4—C10—C9 | 1.4 (4) |
S1'—C2'—C3—C4 | −177.0 (2) | C6—C5—C10—C4 | 178.6 (3) |
N3'—C2'—C3—C2 | 179.5 (3) | C6—C5—C10—C9 | 0.4 (4) |
S1'—C2'—C3—C2 | 0.2 (4) | C8—C9—C10—C4 | −178.9 (3) |
C2—C3—C4—C10 | 1.1 (4) | O1—C9—C10—C4 | −1.2 (4) |
C2'—C3—C4—C10 | 178.2 (2) | C8—C9—C10—C5 | −0.5 (4) |
C9'—C4'—C5'—C6' | 0.6 (5) | O1—C9—C10—C5 | 177.1 (2) |
C10—C5—C6—C7 | −0.5 (4) | C5—C6—C12A—C13A | 149.0 (4) |
C10—C5—C6—C12A | 175.2 (4) | C7—C6—C12A—C13A | −35.2 (6) |
C10—C5—C6—C12B | −161.1 (6) | C12B—C6—C12A—C13A | 54.6 (15) |
C4'—C5'—C6'—C7' | −0.6 (5) | C6—C12A—C13A—C14A | 57.9 (7) |
C16B—N15—C7—C8 | −9.6 (9) | C7—N15—C14A—C13A | 21.9 (10) |
C14B—N15—C7—C8 | −175 (2) | C16B—N15—C14A—C13A | −146.2 (9) |
C14A—N15—C7—C8 | −177.0 (6) | C14B—N15—C14A—C13A | −47 (43) |
C16A—N15—C7—C8 | 7.5 (6) | C16A—N15—C14A—C13A | −162.3 (6) |
C16B—N15—C7—C6 | 169.1 (9) | C12A—C13A—C14A—N15 | −51.8 (9) |
C14B—N15—C7—C6 | 3 (2) | C7—N15—C16A—C17A | 9.9 (8) |
C14A—N15—C7—C6 | 1.7 (7) | C16B—N15—C16A—C17A | 98 (3) |
C16A—N15—C7—C6 | −173.8 (5) | C14B—N15—C16A—C17A | −167 (2) |
C5—C6—C7—N15 | −178.0 (2) | C14A—N15—C16A—C17A | −166.0 (7) |
C12A—C6—C7—N15 | 6.2 (5) | N15—C16A—C17A—C18A | −36.8 (10) |
C12B—C6—C7—N15 | −16.7 (6) | C16A—C17A—C18A—C8 | 44.0 (12) |
C5—C6—C7—C8 | 0.8 (4) | C9—C8—C18A—C17A | 157.9 (5) |
C12A—C6—C7—C8 | −175.1 (3) | C7—C8—C18A—C17A | −26.8 (12) |
C12B—C6—C7—C8 | 162.1 (6) | C18B—C8—C18A—C17A | 71 (7) |
C5'—C6'—C7'—C8' | −0.4 (5) | C5—C6—C12B—C13B | −155.4 (9) |
N15—C7—C8—C9 | 177.9 (2) | C7—C6—C12B—C13B | 43.6 (12) |
C6—C7—C8—C9 | −0.9 (4) | C12A—C6—C12B—C13B | −57.4 (14) |
N15—C7—C8—C18B | −9 (2) | C6—C12B—C13B—C14B | −57 (2) |
C6—C7—C8—C18B | 172 (2) | C7—N15—C14B—C13B | −20 (5) |
N15—C7—C8—C18A | 2.4 (8) | C16B—N15—C14B—C13B | 174 (2) |
C6—C7—C8—C18A | −176.4 (7) | C14A—N15—C14B—C13B | 92 (46) |
C6'—C7'—C8'—C9' | 1.5 (4) | C16A—N15—C14B—C13B | 157 (2) |
C6'—C7'—C8'—S1' | −179.7 (2) | C12B—C13B—C14B—N15 | 48 (4) |
C2'—S1'—C8'—C7' | −178.5 (3) | C7—N15—C16B—C17B | 3.5 (17) |
C2'—S1'—C8'—C9' | 0.5 (2) | C14B—N15—C16B—C17B | 170 (2) |
C7—C8—C9—O1 | −177.0 (2) | C14A—N15—C16B—C17B | 171.8 (12) |
C18B—C8—C9—O1 | 10 (2) | C16A—N15—C16B—C17B | −98 (4) |
C18A—C8—C9—O1 | −1.6 (8) | N15—C16B—C17B—C18B | 21 (3) |
C7—C8—C9—C10 | 0.8 (4) | C9—C8—C18B—C17B | −156.8 (16) |
C18B—C8—C9—C10 | −172 (2) | C7—C8—C18B—C17B | 30 (4) |
C18A—C8—C9—C10 | 176.2 (8) | C18A—C8—C18B—C17B | −57 (5) |
C2—O1—C9—C8 | 176.4 (2) | C16B—C17B—C18B—C8 | −36 (4) |