Supporting information
Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536804022810/rz6002sup1.cif | |
Structure factor file (CIF format) https://doi.org/10.1107/S1600536804022810/rz6002Isup2.hkl |
CCDC reference: 253008
Data collection: SMART (Bruker, 1997); cell refinement: SMART; data reduction: SAINT (Bruker, 1997); program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: SHELXTL (Bruker, 1997); software used to prepare material for publication: SHELXTL.
C26H31NO5S | F(000) = 1000 |
Mr = 469.59 | Dx = 1.261 Mg m−3 |
Monoclinic, P21/n | Melting point: 411 K |
Hall symbol: -P 2yn | Mo Kα radiation, λ = 0.71073 Å |
a = 11.434 (4) Å | Cell parameters from 886 reflections |
b = 7.820 (3) Å | θ = 3.2–25.3° |
c = 27.782 (10) Å | µ = 0.17 mm−1 |
β = 95.306 (6)° | T = 293 K |
V = 2473.5 (16) Å3 | Block, colorless |
Z = 4 | 0.26 × 0.22 × 0.18 mm |
Bruker SMART CCD area-detector diffractometer | 5073 independent reflections |
Radiation source: fine-focus sealed tube | 3223 reflections with I > 2σ(I) |
Graphite monochromator | Rint = 0.040 |
φ and ω scans | θmax = 26.4°, θmin = 2.0° |
Absorption correction: multi-scan (SADABS; Sheldrick, 1996) | h = −14→13 |
Tmin = 0.926, Tmax = 0.970 | k = −4→9 |
13795 measured reflections | l = −34→32 |
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)] = 0.050 | Hydrogen site location: inferred from neighbouring sites |
wR(F2) = 0.119 | H-atom parameters constrained |
S = 1.01 | w = 1/[σ2(Fo2) + (0.0462P)2 + 0.8247P] where P = (Fo2 + 2Fc2)/3 |
5073 reflections | (Δ/σ)max = 0.001 |
304 parameters | Δρmax = 0.19 e Å−3 |
0 restraints | Δρmin = −0.20 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 | ||
S1 | 0.08599 (5) | 0.67366 (8) | 0.16195 (2) | 0.04534 (18) | |
O1 | 0.18254 (16) | 1.3050 (2) | 0.24303 (7) | 0.0626 (5) | |
O2 | −0.00141 (16) | 1.3596 (2) | 0.29528 (7) | 0.0701 (6) | |
O3 | −0.18621 (16) | 1.1465 (2) | 0.28842 (7) | 0.0706 (6) | |
O4 | 0.25392 (13) | −0.0238 (2) | 0.05070 (6) | 0.0533 (4) | |
O5 | 0.62077 (16) | 0.3183 (3) | 0.05887 (10) | 0.0962 (8) | |
N1 | 0.38483 (15) | 0.2558 (2) | 0.07660 (7) | 0.0446 (5) | |
C1 | 0.0810 (2) | 1.0697 (3) | 0.20016 (8) | 0.0451 (6) | |
H1 | 0.1430 | 1.0523 | 0.1812 | 0.054* | |
C2 | 0.0885 (2) | 1.1984 (3) | 0.23464 (9) | 0.0469 (6) | |
C3 | −0.0033 (2) | 1.2242 (3) | 0.26315 (9) | 0.0508 (6) | |
C4 | −0.1015 (2) | 1.1175 (3) | 0.25759 (9) | 0.0511 (6) | |
C5 | −0.1091 (2) | 0.9899 (3) | 0.22262 (9) | 0.0479 (6) | |
H5 | −0.1752 | 0.9202 | 0.2187 | 0.057* | |
C6 | −0.01785 (19) | 0.9667 (3) | 0.19359 (8) | 0.0406 (5) | |
C7 | 0.2829 (2) | 1.2681 (4) | 0.21764 (10) | 0.0691 (8) | |
H7A | 0.3104 | 1.1547 | 0.2256 | 0.104* | |
H7B | 0.3441 | 1.3490 | 0.2268 | 0.104* | |
H7C | 0.2616 | 1.2759 | 0.1835 | 0.104* | |
C8 | 0.0653 (3) | 1.3371 (4) | 0.33953 (10) | 0.0805 (9) | |
H8A | 0.0292 | 1.2518 | 0.3581 | 0.121* | |
H8B | 0.0695 | 1.4433 | 0.3570 | 0.121* | |
H8C | 0.1431 | 1.3010 | 0.3339 | 0.121* | |
C9 | −0.2846 (3) | 1.0340 (4) | 0.28475 (12) | 0.0843 (10) | |
H9A | −0.3262 | 1.0446 | 0.2533 | 0.126* | |
H9B | −0.3360 | 1.0633 | 0.3089 | 0.126* | |
H9C | −0.2580 | 0.9184 | 0.2896 | 0.126* | |
C10 | −0.02287 (18) | 0.8268 (3) | 0.15769 (8) | 0.0387 (5) | |
C11 | −0.10453 (18) | 0.7940 (3) | 0.11943 (8) | 0.0376 (5) | |
C12 | −0.07683 (17) | 0.6448 (3) | 0.09282 (7) | 0.0357 (5) | |
C13 | 0.02340 (18) | 0.5647 (3) | 0.11180 (7) | 0.0374 (5) | |
C14 | −0.2106 (2) | 0.9035 (3) | 0.10616 (9) | 0.0572 (7) | |
H14A | −0.2802 | 0.8423 | 0.1127 | 0.086* | |
H14B | −0.2146 | 0.9314 | 0.0724 | 0.086* | |
H14C | −0.2049 | 1.0069 | 0.1249 | 0.086* | |
C15 | −0.1468 (2) | 0.5916 (3) | 0.04656 (8) | 0.0527 (6) | |
H15A | −0.1013 | 0.5135 | 0.0292 | 0.079* | |
H15B | −0.1656 | 0.6907 | 0.0270 | 0.079* | |
H15C | −0.2181 | 0.5367 | 0.0540 | 0.079* | |
C16 | 0.08131 (18) | 0.4102 (3) | 0.09540 (7) | 0.0367 (5) | |
C17 | 0.01827 (19) | 0.2635 (3) | 0.08240 (8) | 0.0440 (6) | |
H17 | −0.0626 | 0.2622 | 0.0841 | 0.053* | |
C18 | 0.07361 (19) | 0.1190 (3) | 0.06700 (8) | 0.0429 (6) | |
H18 | 0.0294 | 0.0223 | 0.0581 | 0.052* | |
C19 | 0.19379 (19) | 0.1161 (3) | 0.06467 (8) | 0.0392 (5) | |
C20 | 0.26089 (17) | 0.2628 (3) | 0.07787 (7) | 0.0372 (5) | |
C21 | 0.20288 (18) | 0.4055 (3) | 0.09279 (7) | 0.0380 (5) | |
H21 | 0.2466 | 0.5028 | 0.1015 | 0.046* | |
C22 | 0.1879 (2) | −0.1700 (3) | 0.03524 (12) | 0.0672 (8) | |
H22A | 0.1451 | −0.2105 | 0.0611 | 0.101* | |
H22B | 0.2400 | −0.2581 | 0.0261 | 0.101* | |
H22C | 0.1338 | −0.1407 | 0.0080 | 0.101* | |
C23 | 0.4246 (2) | 0.2382 (4) | 0.02854 (10) | 0.0570 (7) | |
H23A | 0.4131 | 0.3451 | 0.0110 | 0.068* | |
H23B | 0.3793 | 0.1503 | 0.0107 | 0.068* | |
C24 | 0.5523 (2) | 0.1913 (4) | 0.03305 (13) | 0.0848 (10) | |
H24A | 0.5630 | 0.0827 | 0.0497 | 0.102* | |
H24B | 0.5788 | 0.1783 | 0.0011 | 0.102* | |
C25 | 0.5820 (2) | 0.3403 (5) | 0.10521 (14) | 0.0879 (11) | |
H25A | 0.6285 | 0.4289 | 0.1223 | 0.105* | |
H25B | 0.5943 | 0.2349 | 0.1234 | 0.105* | |
C26 | 0.4534 (2) | 0.3888 (4) | 0.10298 (10) | 0.0619 (7) | |
H26A | 0.4293 | 0.3995 | 0.1354 | 0.074* | |
H26B | 0.4407 | 0.4979 | 0.0867 | 0.074* |
U11 | U22 | U33 | U12 | U13 | U23 | |
S1 | 0.0408 (3) | 0.0513 (4) | 0.0425 (3) | 0.0069 (3) | −0.0036 (2) | −0.0132 (3) |
O1 | 0.0685 (11) | 0.0516 (11) | 0.0657 (12) | −0.0152 (9) | −0.0044 (9) | −0.0106 (9) |
O2 | 0.0824 (13) | 0.0518 (11) | 0.0719 (13) | 0.0165 (10) | −0.0157 (10) | −0.0268 (10) |
O3 | 0.0604 (11) | 0.0732 (13) | 0.0795 (14) | 0.0048 (10) | 0.0142 (10) | −0.0362 (11) |
O4 | 0.0460 (9) | 0.0391 (10) | 0.0760 (12) | −0.0009 (8) | 0.0127 (8) | −0.0133 (9) |
O5 | 0.0452 (11) | 0.1027 (18) | 0.145 (2) | −0.0199 (11) | 0.0317 (13) | −0.0432 (16) |
N1 | 0.0328 (10) | 0.0458 (12) | 0.0552 (13) | −0.0022 (9) | 0.0041 (9) | −0.0119 (10) |
C1 | 0.0470 (13) | 0.0418 (14) | 0.0455 (14) | 0.0013 (11) | −0.0017 (10) | −0.0017 (11) |
C2 | 0.0527 (14) | 0.0349 (13) | 0.0502 (14) | −0.0001 (11) | −0.0105 (12) | −0.0002 (11) |
C3 | 0.0589 (16) | 0.0372 (14) | 0.0537 (16) | 0.0099 (12) | −0.0094 (12) | −0.0125 (11) |
C4 | 0.0513 (14) | 0.0480 (15) | 0.0539 (15) | 0.0125 (12) | 0.0050 (12) | −0.0117 (12) |
C5 | 0.0453 (13) | 0.0431 (14) | 0.0552 (15) | 0.0015 (11) | 0.0043 (11) | −0.0113 (12) |
C6 | 0.0422 (12) | 0.0363 (13) | 0.0424 (13) | 0.0058 (10) | −0.0014 (10) | −0.0049 (10) |
C7 | 0.0717 (19) | 0.085 (2) | 0.0495 (16) | −0.0330 (17) | 0.0006 (14) | −0.0060 (15) |
C8 | 0.105 (2) | 0.078 (2) | 0.0567 (19) | 0.0080 (19) | −0.0057 (17) | −0.0154 (16) |
C9 | 0.068 (2) | 0.096 (2) | 0.094 (2) | −0.0043 (19) | 0.0309 (17) | −0.037 (2) |
C10 | 0.0377 (12) | 0.0376 (13) | 0.0412 (13) | 0.0004 (10) | 0.0066 (10) | −0.0012 (10) |
C11 | 0.0350 (11) | 0.0386 (13) | 0.0394 (12) | −0.0039 (10) | 0.0047 (9) | 0.0031 (10) |
C12 | 0.0327 (11) | 0.0418 (13) | 0.0328 (11) | −0.0082 (10) | 0.0041 (9) | 0.0010 (10) |
C13 | 0.0371 (12) | 0.0425 (13) | 0.0332 (12) | −0.0065 (10) | 0.0064 (9) | −0.0041 (10) |
C14 | 0.0479 (14) | 0.0554 (16) | 0.0664 (18) | 0.0069 (12) | −0.0045 (12) | −0.0008 (14) |
C15 | 0.0497 (14) | 0.0588 (16) | 0.0476 (15) | −0.0044 (12) | −0.0059 (11) | −0.0058 (13) |
C16 | 0.0383 (12) | 0.0411 (13) | 0.0311 (11) | −0.0019 (10) | 0.0051 (9) | −0.0046 (10) |
C17 | 0.0361 (12) | 0.0509 (15) | 0.0460 (14) | −0.0052 (11) | 0.0091 (10) | −0.0050 (11) |
C18 | 0.0411 (13) | 0.0394 (13) | 0.0492 (14) | −0.0095 (11) | 0.0089 (10) | −0.0056 (11) |
C19 | 0.0424 (12) | 0.0383 (13) | 0.0377 (12) | −0.0002 (10) | 0.0080 (10) | −0.0018 (10) |
C20 | 0.0353 (12) | 0.0421 (13) | 0.0345 (12) | −0.0027 (10) | 0.0043 (9) | −0.0033 (10) |
C21 | 0.0389 (12) | 0.0383 (13) | 0.0365 (12) | −0.0050 (10) | 0.0022 (9) | −0.0076 (10) |
C22 | 0.0640 (17) | 0.0378 (15) | 0.103 (2) | −0.0092 (13) | 0.0251 (16) | −0.0130 (15) |
C23 | 0.0484 (14) | 0.0596 (17) | 0.0656 (18) | −0.0042 (13) | 0.0197 (13) | −0.0134 (14) |
C24 | 0.0462 (16) | 0.088 (2) | 0.124 (3) | −0.0101 (16) | 0.0311 (17) | −0.041 (2) |
C25 | 0.0432 (16) | 0.094 (3) | 0.124 (3) | −0.0116 (17) | −0.0045 (17) | −0.035 (2) |
C26 | 0.0439 (14) | 0.0671 (19) | 0.0746 (19) | −0.0082 (13) | 0.0049 (13) | −0.0212 (15) |
S1—C10 | 1.723 (2) | C11—C12 | 1.432 (3) |
S1—C13 | 1.731 (2) | C11—C14 | 1.503 (3) |
O1—C2 | 1.364 (3) | C12—C13 | 1.368 (3) |
O1—C7 | 1.431 (3) | C12—C15 | 1.508 (3) |
O2—C3 | 1.384 (3) | C13—C16 | 1.470 (3) |
O2—C8 | 1.397 (3) | C14—H14A | 0.9600 |
O3—C4 | 1.370 (3) | C14—H14B | 0.9600 |
O3—C9 | 1.425 (3) | C14—H14C | 0.9600 |
O4—C19 | 1.367 (3) | C15—H15A | 0.9600 |
O4—C22 | 1.415 (3) | C15—H15B | 0.9600 |
O5—C25 | 1.410 (4) | C15—H15C | 0.9600 |
O5—C24 | 1.418 (3) | C16—C17 | 1.385 (3) |
N1—C20 | 1.422 (3) | C16—C21 | 1.399 (3) |
N1—C23 | 1.457 (3) | C17—C18 | 1.382 (3) |
N1—C26 | 1.459 (3) | C17—H17 | 0.9300 |
C1—C2 | 1.386 (3) | C18—C19 | 1.382 (3) |
C1—C6 | 1.386 (3) | C18—H18 | 0.9300 |
C1—H1 | 0.9300 | C19—C20 | 1.410 (3) |
C2—C3 | 1.387 (3) | C20—C21 | 1.382 (3) |
C3—C4 | 1.396 (3) | C21—H21 | 0.9300 |
C4—C5 | 1.390 (3) | C22—H22A | 0.9600 |
C5—C6 | 1.389 (3) | C22—H22B | 0.9600 |
C5—H5 | 0.9300 | C22—H22C | 0.9600 |
C6—C10 | 1.478 (3) | C23—C24 | 1.500 (3) |
C7—H7A | 0.9600 | C23—H23A | 0.9700 |
C7—H7B | 0.9600 | C23—H23B | 0.9700 |
C7—H7C | 0.9600 | C24—H24A | 0.9700 |
C8—H8A | 0.9600 | C24—H24B | 0.9700 |
C8—H8B | 0.9600 | C25—C26 | 1.514 (3) |
C8—H8C | 0.9600 | C25—H25A | 0.9700 |
C9—H9A | 0.9600 | C25—H25B | 0.9700 |
C9—H9B | 0.9600 | C26—H26A | 0.9700 |
C9—H9C | 0.9600 | C26—H26B | 0.9700 |
C10—C11 | 1.372 (3) | ||
C10—S1—C13 | 92.54 (11) | H14A—C14—H14B | 109.5 |
C2—O1—C7 | 116.6 (2) | C11—C14—H14C | 109.5 |
C3—O2—C8 | 116.5 (2) | H14A—C14—H14C | 109.5 |
C4—O3—C9 | 116.9 (2) | H14B—C14—H14C | 109.5 |
C19—O4—C22 | 117.69 (18) | C12—C15—H15A | 109.5 |
C25—O5—C24 | 110.0 (2) | C12—C15—H15B | 109.5 |
C20—N1—C23 | 115.02 (18) | H15A—C15—H15B | 109.5 |
C20—N1—C26 | 116.81 (18) | C12—C15—H15C | 109.5 |
C23—N1—C26 | 109.19 (19) | H15A—C15—H15C | 109.5 |
C2—C1—C6 | 120.7 (2) | H15B—C15—H15C | 109.5 |
C2—C1—H1 | 119.7 | C17—C16—C21 | 117.4 (2) |
C6—C1—H1 | 119.7 | C17—C16—C13 | 121.54 (19) |
O1—C2—C1 | 124.0 (2) | C21—C16—C13 | 121.05 (19) |
O1—C2—C3 | 116.1 (2) | C18—C17—C16 | 121.1 (2) |
C1—C2—C3 | 119.9 (2) | C18—C17—H17 | 119.5 |
O2—C3—C2 | 120.8 (2) | C16—C17—H17 | 119.5 |
O2—C3—C4 | 119.6 (2) | C19—C18—C17 | 120.9 (2) |
C2—C3—C4 | 119.6 (2) | C19—C18—H18 | 119.5 |
O3—C4—C5 | 123.6 (2) | C17—C18—H18 | 119.5 |
O3—C4—C3 | 116.1 (2) | O4—C19—C18 | 123.7 (2) |
C5—C4—C3 | 120.3 (2) | O4—C19—C20 | 116.67 (18) |
C6—C5—C4 | 119.8 (2) | C18—C19—C20 | 119.6 (2) |
C6—C5—H5 | 120.1 | C21—C20—C19 | 118.08 (19) |
C4—C5—H5 | 120.1 | C21—C20—N1 | 123.06 (19) |
C1—C6—C5 | 119.7 (2) | C19—C20—N1 | 118.84 (19) |
C1—C6—C10 | 119.9 (2) | C20—C21—C16 | 122.9 (2) |
C5—C6—C10 | 120.3 (2) | C20—C21—H21 | 118.5 |
O1—C7—H7A | 109.5 | C16—C21—H21 | 118.5 |
O1—C7—H7B | 109.5 | O4—C22—H22A | 109.5 |
H7A—C7—H7B | 109.5 | O4—C22—H22B | 109.5 |
O1—C7—H7C | 109.5 | H22A—C22—H22B | 109.5 |
H7A—C7—H7C | 109.5 | O4—C22—H22C | 109.5 |
H7B—C7—H7C | 109.5 | H22A—C22—H22C | 109.5 |
O2—C8—H8A | 109.5 | H22B—C22—H22C | 109.5 |
O2—C8—H8B | 109.5 | N1—C23—C24 | 109.3 (2) |
H8A—C8—H8B | 109.5 | N1—C23—H23A | 109.8 |
O2—C8—H8C | 109.5 | C24—C23—H23A | 109.8 |
H8A—C8—H8C | 109.5 | N1—C23—H23B | 109.8 |
H8B—C8—H8C | 109.5 | C24—C23—H23B | 109.8 |
O3—C9—H9A | 109.5 | H23A—C23—H23B | 108.3 |
O3—C9—H9B | 109.5 | O5—C24—C23 | 111.0 (2) |
H9A—C9—H9B | 109.5 | O5—C24—H24A | 109.4 |
O3—C9—H9C | 109.5 | C23—C24—H24A | 109.4 |
H9A—C9—H9C | 109.5 | O5—C24—H24B | 109.4 |
H9B—C9—H9C | 109.5 | C23—C24—H24B | 109.4 |
C11—C10—C6 | 129.9 (2) | H24A—C24—H24B | 108.0 |
C11—C10—S1 | 111.04 (16) | O5—C25—C26 | 112.3 (3) |
C6—C10—S1 | 119.03 (15) | O5—C25—H25A | 109.1 |
C10—C11—C12 | 112.62 (19) | C26—C25—H25A | 109.1 |
C10—C11—C14 | 124.0 (2) | O5—C25—H25B | 109.1 |
C12—C11—C14 | 123.3 (2) | C26—C25—H25B | 109.1 |
C13—C12—C11 | 113.03 (19) | H25A—C25—H25B | 107.9 |
C13—C12—C15 | 124.2 (2) | N1—C26—C25 | 108.5 (2) |
C11—C12—C15 | 122.6 (2) | N1—C26—H26A | 110.0 |
C12—C13—C16 | 129.94 (19) | C25—C26—H26A | 110.0 |
C12—C13—S1 | 110.75 (16) | N1—C26—H26B | 110.0 |
C16—C13—S1 | 119.30 (16) | C25—C26—H26B | 110.0 |
C11—C14—H14A | 109.5 | H26A—C26—H26B | 108.4 |
C11—C14—H14B | 109.5 | ||
C7—O1—C2—C1 | −6.5 (3) | C15—C12—C13—C16 | −4.3 (4) |
C7—O1—C2—C3 | 173.4 (2) | C11—C12—C13—S1 | −1.0 (2) |
C6—C1—C2—O1 | −179.7 (2) | C15—C12—C13—S1 | 174.52 (17) |
C6—C1—C2—C3 | 0.4 (3) | C10—S1—C13—C12 | 0.24 (17) |
C8—O2—C3—C2 | −80.6 (3) | C10—S1—C13—C16 | 179.22 (17) |
C8—O2—C3—C4 | 102.6 (3) | C12—C13—C16—C17 | −46.0 (3) |
O1—C2—C3—O2 | 4.8 (3) | S1—C13—C16—C17 | 135.28 (19) |
C1—C2—C3—O2 | −175.2 (2) | C12—C13—C16—C21 | 134.7 (2) |
O1—C2—C3—C4 | −178.4 (2) | S1—C13—C16—C21 | −44.1 (3) |
C1—C2—C3—C4 | 1.5 (4) | C21—C16—C17—C18 | −0.7 (3) |
C9—O3—C4—C5 | 2.2 (4) | C13—C16—C17—C18 | 180.0 (2) |
C9—O3—C4—C3 | −177.3 (2) | C16—C17—C18—C19 | 0.8 (3) |
O2—C3—C4—O3 | −5.9 (3) | C22—O4—C19—C18 | 3.7 (3) |
C2—C3—C4—O3 | 177.3 (2) | C22—O4—C19—C20 | −177.2 (2) |
O2—C3—C4—C5 | 174.6 (2) | C17—C18—C19—O4 | 178.6 (2) |
C2—C3—C4—C5 | −2.2 (4) | C17—C18—C19—C20 | −0.4 (3) |
O3—C4—C5—C6 | −178.5 (2) | O4—C19—C20—C21 | −179.14 (19) |
C3—C4—C5—C6 | 1.0 (4) | C18—C19—C20—C21 | 0.0 (3) |
C2—C1—C6—C5 | −1.6 (3) | O4—C19—C20—N1 | −0.9 (3) |
C2—C1—C6—C10 | −178.1 (2) | C18—C19—C20—N1 | 178.2 (2) |
C4—C5—C6—C1 | 0.9 (3) | C23—N1—C20—C21 | −114.9 (2) |
C4—C5—C6—C10 | 177.4 (2) | C26—N1—C20—C21 | 15.1 (3) |
C1—C6—C10—C11 | −124.7 (3) | C23—N1—C20—C19 | 67.0 (3) |
C5—C6—C10—C11 | 58.8 (3) | C26—N1—C20—C19 | −163.1 (2) |
C1—C6—C10—S1 | 56.1 (3) | C19—C20—C21—C16 | 0.1 (3) |
C5—C6—C10—S1 | −120.5 (2) | N1—C20—C21—C16 | −178.0 (2) |
C13—S1—C10—C11 | 0.56 (17) | C17—C16—C21—C20 | 0.2 (3) |
C13—S1—C10—C6 | 179.92 (18) | C13—C16—C21—C20 | 179.6 (2) |
C6—C10—C11—C12 | 179.5 (2) | C20—N1—C23—C24 | −166.7 (2) |
S1—C10—C11—C12 | −1.2 (2) | C26—N1—C23—C24 | 59.7 (3) |
C6—C10—C11—C14 | 0.5 (4) | C25—O5—C24—C23 | 58.2 (4) |
S1—C10—C11—C14 | 179.74 (18) | N1—C23—C24—O5 | −59.7 (3) |
C10—C11—C12—C13 | 1.4 (3) | C24—O5—C25—C26 | −57.8 (4) |
C14—C11—C12—C13 | −179.5 (2) | C20—N1—C26—C25 | 169.3 (2) |
C10—C11—C12—C15 | −174.2 (2) | C23—N1—C26—C25 | −58.0 (3) |
C14—C11—C12—C15 | 4.9 (3) | O5—C25—C26—N1 | 57.9 (3) |
C11—C12—C13—C16 | −179.8 (2) |