Supporting information
Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536801006481/cf6056sup1.cif | |
Structure factor file (CIF format) https://doi.org/10.1107/S1600536801006481/cf6056Isup2.hkl |
CCDC reference: 170301
Key indicators
- Single-crystal X-ray study
- T = 293 K
- Mean (C-C) = 0.006 Å
- Disorder in main residue
- R factor = 0.047
- wR factor = 0.125
- Data-to-parameter ratio = 11.6
checkCIF results
No syntax errors found ADDSYM reports no extra symmetry
Alert Level C:
PLAT_301 Alert C Main Residue Disorder ........................ 15.00 Perc. General Notes
REFLT_03 From the CIF: _diffrn_reflns_theta_max 26.96 From the CIF: _reflns_number_total 3143 Count of symmetry unique reflns 3145 Completeness (_total/calc) 99.94% TEST3: Check Friedels for noncentro structure Estimate of Friedel pairs measured 0 Fraction of Friedel pairs measured 0.000 Are heavy atom types Z>Si present no Please check that the estimate of the number of Friedel pairs is correct. If it is not, please give the correct count in the _publ_section_exptl_refinement section of the submitted CIF.
0 Alert Level A = Potentially serious problem
0 Alert Level B = Potential problem
1 Alert Level C = Please check
Data collection: CAD-4 Operations Manual (Enraf-Nonius, 1977); cell refinement: CAD-4 Operations Manual; data reduction: PROCESS in MolEN (Fair, 1990); program(s) used to solve structure: SIR97 (Altomare et al., 1998); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: PLATON (Spek, 1998); software used to prepare material for publication: SHELXL97.
C25H37NO7 | Dx = 1.199 Mg m−3 |
Mr = 463.56 | Mo Kα radiation, λ = 0.71069 Å |
Orthorhombic, P212121 | Cell parameters from 25 reflections |
a = 9.809 (1) Å | θ = 7.5–12.0° |
b = 13.978 (5) Å | µ = 0.09 mm−1 |
c = 18.730 (2) Å | T = 293 K |
V = 2568.1 (10) Å3 | Block, colourless |
Z = 4 | 0.25 × 0.15 × 0.15 mm |
F(000) = 1000 |
Enraf-Nonius CAD-4 diffractometer | Rint = 0.000 |
Radiation source: fine-focus sealed tube | θmax = 27.0°, θmin = 2.2° |
Graphite monochromator | h = 0→12 |
ω scans | k = 0→17 |
3143 measured reflections | l = 0→23 |
3143 independent reflections | 3 standard reflections every 60 min |
1782 reflections with I > 2σ(I) | intensity decay: 0.6% |
Refinement on F2 | Secondary atom site location: difference Fourier map |
Least-squares matrix: full | Hydrogen site location: inferred from neighbouring sites |
R[F2 > 2σ(F2)] = 0.047 | H atoms treated by a mixture of independent and constrained refinement |
wR(F2) = 0.125 | w = 1/[σ2(Fo2) + (0.0537P)2 + 0.5544P] where P = (Fo2 + 2Fc2)/3 |
S = 1.01 | (Δ/σ)max = 0.014 |
3143 reflections | Δρmax = 0.27 e Å−3 |
270 parameters | Δρmin = −0.25 e Å−3 |
1 restraint | Extinction correction: SHELXL97, Fc*=kFc[1+0.001xFc2λ3/sin(2θ)]-1/4 |
Primary atom site location: structure-invariant direct methods | Extinction coefficient: 0.009 (1) |
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) | |
O3 | 0.3963 (3) | 0.56128 (17) | 0.75039 (14) | 0.0506 (7) | |
O2 | 0.2081 (3) | 0.7045 (2) | 0.62422 (14) | 0.0545 (8) | |
O1 | 0.3994 (3) | 0.7844 (2) | 0.59216 (14) | 0.0593 (8) | |
O5 | 0.4877 (2) | 0.75561 (17) | 0.70501 (13) | 0.0436 (7) | |
O4 | 0.3501 (3) | 0.66468 (18) | 0.84102 (14) | 0.0538 (8) | |
O6 | 0.4704 (3) | 1.00844 (19) | 0.93660 (14) | 0.0556 (8) | |
O7 | 0.4347 (3) | 0.85621 (19) | 0.96623 (14) | 0.0575 (8) | |
N1 | 0.2996 (3) | 0.9873 (2) | 0.81541 (15) | 0.0407 (8) | |
H1A | 0.3730 | 1.0232 | 0.8022 | 0.049* | |
C1 | 0.4422 (4) | 0.7134 (3) | 0.64094 (19) | 0.0440 (9) | |
H1 | 0.5170 | 0.6767 | 0.6197 | 0.053* | |
C2 | 0.3190 (4) | 0.6488 (3) | 0.6495 (2) | 0.0422 (9) | |
H2 | 0.3295 | 0.5910 | 0.6203 | 0.051* | |
C3 | 0.2897 (4) | 0.6222 (3) | 0.7260 (2) | 0.0422 (9) | |
H3 | 0.2018 | 0.5892 | 0.7293 | 0.051* | |
C4 | 0.2939 (4) | 0.7061 (2) | 0.77812 (19) | 0.0410 (9) | |
H4 | 0.2009 | 0.7281 | 0.7878 | 0.049* | |
C5 | 0.3796 (3) | 0.7900 (2) | 0.75029 (19) | 0.0366 (8) | |
H5 | 0.3208 | 0.8327 | 0.7224 | 0.044* | |
C6 | 0.4485 (4) | 0.8475 (3) | 0.80820 (19) | 0.0383 (9) | |
H6A | 0.5131 | 0.8911 | 0.7863 | 0.046* | |
H6B | 0.4995 | 0.8043 | 0.8387 | 0.046* | |
C7 | 0.3495 (4) | 0.9049 (2) | 0.85413 (19) | 0.0357 (9) | |
H7 | 0.2718 | 0.8639 | 0.8661 | 0.043* | |
C8 | 0.4237 (4) | 0.9319 (3) | 0.9238 (2) | 0.0376 (9) | |
C9 | 0.5229 (5) | 0.8628 (3) | 1.0287 (2) | 0.0567 (12) | |
H9 | 0.5839 | 0.9179 | 1.0237 | 0.068* | |
C10 | 0.6047 (5) | 0.7726 (4) | 1.0303 (3) | 0.0841 (16) | |
H10A | 0.6586 | 0.7681 | 0.9876 | 0.101* | |
H10B | 0.5445 | 0.7186 | 1.0331 | 0.101* | |
H10C | 0.6637 | 0.7731 | 1.0712 | 0.101* | |
C11 | 0.4348 (6) | 0.8756 (4) | 1.0933 (2) | 0.0915 (18) | |
H11A | 0.3858 | 0.9348 | 1.0896 | 0.110* | |
H11B | 0.4909 | 0.8767 | 1.1353 | 0.110* | |
H11C | 0.3713 | 0.8235 | 1.0965 | 0.110* | |
C12 | 0.2631 (5) | 0.7642 (3) | 0.5694 (2) | 0.0607 (12) | |
C13 | 0.1834 (6) | 0.8552 (4) | 0.5671 (3) | 0.0960 (18) | |
H13A | 0.2190 | 0.8958 | 0.5302 | 0.115* | |
H13B | 0.1905 | 0.8872 | 0.6123 | 0.115* | |
H13C | 0.0894 | 0.8411 | 0.5573 | 0.115* | |
C14 | 0.2652 (6) | 0.7127 (4) | 0.4982 (2) | 0.0863 (18) | |
H14A | 0.3023 | 0.7542 | 0.4624 | 0.104* | |
H14B | 0.1739 | 0.6949 | 0.4853 | 0.104* | |
H14C | 0.3205 | 0.6562 | 0.5020 | 0.104* | |
C15 | 0.4041 (5) | 0.5718 (3) | 0.8259 (2) | 0.0541 (11) | |
C16 | 0.5500 (5) | 0.5676 (4) | 0.8482 (3) | 0.0891 (18) | |
H16A | 0.5862 | 0.5053 | 0.8378 | 0.107* | |
H16B | 0.5566 | 0.5797 | 0.8985 | 0.107* | |
H16C | 0.6010 | 0.6151 | 0.8226 | 0.107* | |
C17 | 0.3160 (7) | 0.4977 (3) | 0.8622 (3) | 0.0886 (18) | |
H17A | 0.3518 | 0.4351 | 0.8527 | 0.106* | |
H17B | 0.2246 | 0.5020 | 0.8442 | 0.106* | |
H17C | 0.3157 | 0.5090 | 0.9127 | 0.106* | |
C18 | 0.1842 (4) | 1.0374 (3) | 0.8483 (2) | 0.0466 (10) | |
H18 | 0.2082 | 1.0513 | 0.8991 | 0.056* | |
C19 | 0.1654 (5) | 1.1331 (3) | 0.8106 (3) | 0.0654 (13) | |
H19A | 0.2486 | 1.1688 | 0.8117 | 0.079* | |
H19B | 0.0936 | 1.1682 | 0.8321 | 0.079* | |
H19C | 0.1424 | 1.1200 | 0.7609 | 0.079* | |
C20A | 0.0615 (5) | 0.9842 (4) | 0.8559 (3) | 0.039 (2)* | 0.547 (10) |
C21A | −0.0217 (6) | 0.9906 (4) | 0.9158 (3) | 0.060 (2)* | 0.547 (10) |
H21A | 0.0049 | 1.0279 | 0.9545 | 0.072* | 0.547 (10) |
C22A | −0.1446 (5) | 0.9412 (5) | 0.9179 (3) | 0.075 (3)* | 0.547 (10) |
H22A | −0.2003 | 0.9455 | 0.9580 | 0.090* | 0.547 (10) |
C23A | −0.1844 (5) | 0.8855 (4) | 0.8601 (4) | 0.057 (3)* | 0.547 (10) |
H23A | −0.2667 | 0.8525 | 0.8615 | 0.068* | 0.547 (10) |
C24A | −0.1013 (6) | 0.8791 (4) | 0.8002 (3) | 0.076 (3)* | 0.547 (10) |
H24A | −0.1279 | 0.8418 | 0.7615 | 0.091* | 0.547 (10) |
C25A | 0.0217 (5) | 0.9285 (4) | 0.7981 (3) | 0.051 (2)* | 0.547 (10) |
H25A | 0.0774 | 0.9242 | 0.7580 | 0.061* | 0.547 (10) |
C20B | 0.0560 (7) | 0.9738 (5) | 0.8325 (4) | 0.043 (3)* | 0.453 (10) |
C21B | −0.0427 (8) | 0.9658 (6) | 0.8855 (4) | 0.075 (4)* | 0.453 (10) |
H21B | −0.0311 | 0.9972 | 0.9288 | 0.090* | 0.453 (10) |
C22B | −0.1586 (7) | 0.9109 (7) | 0.8736 (5) | 0.101 (5)* | 0.453 (10) |
H22B | −0.2246 | 0.9056 | 0.9090 | 0.122* | 0.453 (10) |
C23B | −0.1759 (6) | 0.8639 (6) | 0.8088 (5) | 0.077 (4)* | 0.453 (10) |
H23B | −0.2535 | 0.8272 | 0.8009 | 0.092* | 0.453 (10) |
C24B | −0.0772 (7) | 0.8719 (5) | 0.7559 (4) | 0.079 (4)* | 0.453 (10) |
H24B | −0.0888 | 0.8405 | 0.7125 | 0.095* | 0.453 (10) |
C25B | 0.0387 (7) | 0.9269 (6) | 0.7677 (4) | 0.061 (3)* | 0.453 (10) |
H25B | 0.1047 | 0.9322 | 0.7323 | 0.074* | 0.453 (10) |
U11 | U22 | U33 | U12 | U13 | U23 | |
O3 | 0.0707 (18) | 0.0391 (14) | 0.0421 (14) | 0.0119 (15) | 0.0010 (15) | −0.0011 (13) |
O2 | 0.0522 (17) | 0.0550 (17) | 0.0564 (17) | 0.0035 (16) | −0.0109 (15) | 0.0020 (15) |
O1 | 0.076 (2) | 0.0549 (17) | 0.0474 (16) | −0.0045 (17) | −0.0040 (16) | 0.0128 (15) |
O5 | 0.0397 (14) | 0.0481 (15) | 0.0430 (14) | 0.0020 (13) | 0.0047 (12) | −0.0072 (13) |
O4 | 0.082 (2) | 0.0391 (15) | 0.0406 (15) | 0.0064 (16) | 0.0037 (16) | 0.0004 (13) |
O6 | 0.080 (2) | 0.0411 (16) | 0.0459 (16) | −0.0110 (16) | −0.0114 (16) | 0.0032 (14) |
O7 | 0.077 (2) | 0.0450 (16) | 0.0502 (16) | −0.0168 (17) | −0.0223 (16) | 0.0165 (14) |
N1 | 0.0435 (18) | 0.0403 (17) | 0.0384 (16) | 0.0087 (16) | −0.0028 (16) | −0.0018 (15) |
C1 | 0.051 (2) | 0.043 (2) | 0.038 (2) | 0.006 (2) | 0.0035 (19) | −0.006 (2) |
C2 | 0.044 (2) | 0.038 (2) | 0.045 (2) | −0.001 (2) | −0.004 (2) | −0.0060 (19) |
C3 | 0.042 (2) | 0.033 (2) | 0.051 (2) | −0.0023 (18) | 0.002 (2) | −0.0036 (18) |
C4 | 0.043 (2) | 0.0348 (19) | 0.045 (2) | 0.0041 (19) | 0.0023 (19) | −0.0044 (18) |
C5 | 0.0356 (19) | 0.0309 (18) | 0.043 (2) | 0.0039 (17) | −0.0001 (18) | 0.0013 (19) |
C6 | 0.0357 (19) | 0.0336 (19) | 0.046 (2) | 0.0027 (18) | 0.0005 (18) | −0.0027 (18) |
C7 | 0.036 (2) | 0.0304 (18) | 0.041 (2) | −0.0030 (17) | −0.0011 (18) | 0.0013 (17) |
C8 | 0.038 (2) | 0.033 (2) | 0.042 (2) | −0.0007 (19) | 0.0025 (18) | 0.0057 (19) |
C9 | 0.069 (3) | 0.055 (3) | 0.046 (2) | −0.006 (3) | −0.021 (2) | 0.008 (2) |
C10 | 0.087 (4) | 0.093 (4) | 0.072 (3) | 0.024 (3) | −0.018 (3) | 0.005 (3) |
C11 | 0.124 (5) | 0.091 (4) | 0.060 (3) | 0.015 (4) | −0.006 (3) | −0.003 (3) |
C12 | 0.079 (3) | 0.054 (3) | 0.049 (3) | 0.008 (3) | −0.011 (2) | 0.002 (2) |
C13 | 0.120 (5) | 0.080 (4) | 0.087 (4) | 0.033 (4) | −0.022 (4) | 0.011 (3) |
C14 | 0.115 (5) | 0.096 (4) | 0.048 (2) | 0.001 (4) | −0.012 (3) | −0.004 (3) |
C15 | 0.074 (3) | 0.046 (2) | 0.042 (2) | 0.015 (2) | 0.007 (2) | 0.002 (2) |
C16 | 0.088 (4) | 0.121 (5) | 0.058 (3) | 0.037 (4) | −0.018 (3) | −0.014 (3) |
C17 | 0.143 (5) | 0.051 (3) | 0.071 (3) | 0.000 (4) | 0.032 (4) | 0.012 (3) |
C18 | 0.047 (2) | 0.045 (2) | 0.048 (2) | 0.008 (2) | 0.001 (2) | 0.002 (2) |
C19 | 0.062 (3) | 0.047 (3) | 0.088 (3) | 0.009 (2) | −0.013 (3) | 0.004 (3) |
O3—C3 | 1.423 (4) | C9—C10 | 1.496 (6) |
O3—C15 | 1.423 (5) | C9—C11 | 1.498 (6) |
O2—C2 | 1.419 (4) | C12—C13 | 1.495 (6) |
O2—C12 | 1.428 (5) | C12—C14 | 1.515 (6) |
O1—C1 | 1.412 (5) | C15—C16 | 1.492 (7) |
O1—C12 | 1.431 (5) | C15—C17 | 1.510 (6) |
O5—C1 | 1.410 (4) | C18—C20A | 1.422 (5) |
O5—C5 | 1.440 (4) | C18—C19 | 1.525 (5) |
O4—C4 | 1.424 (4) | C18—C20B | 1.568 (7) |
O4—C15 | 1.431 (5) | C20A—C21A | 1.390 |
O6—C8 | 1.189 (4) | C20A—C25A | 1.390 |
O7—C8 | 1.328 (4) | C21A—C22A | 1.390 |
O7—C9 | 1.458 (4) | C22A—C23A | 1.390 |
N1—C7 | 1.446 (4) | C23A—C24A | 1.390 |
N1—C18 | 1.466 (5) | C24A—C25A | 1.390 |
C1—C2 | 1.518 (5) | C20B—C21B | 1.390 |
C2—C3 | 1.507 (5) | C20B—C25B | 1.390 |
C3—C4 | 1.528 (5) | C21B—C22B | 1.390 |
C4—C5 | 1.534 (5) | C22B—C23B | 1.390 |
C5—C6 | 1.509 (5) | C23B—C24B | 1.390 |
C6—C7 | 1.526 (5) | C24B—C25B | 1.390 |
C7—C8 | 1.540 (5) | ||
C3—O3—C15 | 107.3 (3) | O2—C12—C13 | 108.7 (4) |
C2—O2—C12 | 105.7 (3) | O1—C12—C13 | 109.2 (4) |
C1—O1—C12 | 109.4 (3) | O2—C12—C14 | 111.1 (4) |
C1—O5—C5 | 114.1 (3) | O1—C12—C14 | 110.1 (4) |
C4—O4—C15 | 110.4 (3) | C13—C12—C14 | 112.7 (4) |
C8—O7—C9 | 118.6 (3) | O3—C15—O4 | 105.7 (3) |
C7—N1—C18 | 115.5 (3) | O3—C15—C16 | 109.0 (4) |
O5—C1—O1 | 110.5 (3) | O4—C15—C16 | 109.5 (4) |
O5—C1—C2 | 114.3 (3) | O3—C15—C17 | 110.2 (4) |
O1—C1—C2 | 104.5 (3) | O4—C15—C17 | 108.7 (3) |
O2—C2—C3 | 107.9 (3) | C16—C15—C17 | 113.3 (4) |
O2—C2—C1 | 104.3 (3) | C20A—C18—N1 | 116.5 (4) |
C3—C2—C1 | 113.5 (3) | C20A—C18—C19 | 113.8 (4) |
O3—C3—C2 | 108.2 (3) | N1—C18—C19 | 108.5 (3) |
O3—C3—C4 | 103.5 (3) | C20A—C18—C20B | 17.0 (3) |
C2—C3—C4 | 114.4 (3) | N1—C18—C20B | 105.6 (4) |
O4—C4—C3 | 103.1 (3) | C19—C18—C20B | 108.2 (4) |
O4—C4—C5 | 112.3 (3) | C21A—C20A—C25A | 120.0 |
C3—C4—C5 | 112.6 (3) | C21A—C20A—C18 | 123.0 (4) |
O5—C5—C6 | 105.8 (3) | C25A—C20A—C18 | 116.9 (4) |
O5—C5—C4 | 110.3 (3) | C20A—C21A—C22A | 120.0 |
C6—C5—C4 | 114.1 (3) | C23A—C22A—C21A | 120.0 |
C5—C6—C7 | 113.6 (3) | C22A—C23A—C24A | 120.0 |
N1—C7—C6 | 110.6 (3) | C23A—C24A—C25A | 120.0 |
N1—C7—C8 | 113.0 (3) | C24A—C25A—C20A | 120.0 |
C6—C7—C8 | 107.8 (3) | C21B—C20B—C25B | 120.0 |
O6—C8—O7 | 124.4 (3) | C21B—C20B—C18 | 118.0 (5) |
O6—C8—C7 | 125.0 (3) | C25B—C20B—C18 | 122.0 (5) |
O7—C8—C7 | 110.6 (3) | C20B—C21B—C22B | 120.0 |
O7—C9—C10 | 106.3 (4) | C21B—C22B—C23B | 120.0 |
O7—C9—C11 | 108.3 (4) | C24B—C23B—C22B | 120.0 |
C10—C9—C11 | 113.2 (4) | C25B—C24B—C23B | 120.0 |
O2—C12—O1 | 104.7 (3) | C24B—C25B—C20B | 120.0 |
C5—O5—C1—O1 | 75.4 (4) | C2—O2—C12—C13 | −150.3 (4) |
C5—O5—C1—C2 | −42.1 (4) | C2—O2—C12—C14 | 85.2 (4) |
C12—O1—C1—O5 | −125.7 (3) | C1—O1—C12—O2 | 21.9 (4) |
C12—O1—C1—C2 | −2.3 (4) | C1—O1—C12—C13 | 138.1 (4) |
C12—O2—C2—C3 | 152.9 (3) | C1—O1—C12—C14 | −97.6 (4) |
C12—O2—C2—C1 | 31.9 (4) | C3—O3—C15—O4 | −25.3 (4) |
O5—C1—C2—O2 | 102.7 (4) | C3—O3—C15—C16 | −143.0 (4) |
O1—C1—C2—O2 | −18.2 (4) | C3—O3—C15—C17 | 92.0 (4) |
O5—C1—C2—C3 | −14.4 (5) | C4—O4—C15—O3 | 7.3 (5) |
O1—C1—C2—C3 | −135.4 (3) | C4—O4—C15—C16 | 124.7 (4) |
C15—O3—C3—C2 | 154.0 (3) | C4—O4—C15—C17 | −111.0 (4) |
C15—O3—C3—C4 | 32.2 (4) | C7—N1—C18—C20A | −62.6 (5) |
O2—C2—C3—O3 | 176.5 (3) | C7—N1—C18—C19 | 167.5 (3) |
C1—C2—C3—O3 | −68.4 (4) | C7—N1—C18—C20B | −76.6 (4) |
O2—C2—C3—C4 | −68.7 (4) | N1—C18—C20A—C21A | 140.6 (4) |
C1—C2—C3—C4 | 46.4 (5) | C19—C18—C20A—C21A | −92.0 (5) |
C15—O4—C4—C3 | 11.9 (4) | C20B—C18—C20A—C21A | −166.4 (18) |
C15—O4—C4—C5 | −109.6 (3) | N1—C18—C20A—C25A | −43.4 (5) |
O3—C3—C4—O4 | −26.6 (4) | C19—C18—C20A—C25A | 84.0 (4) |
C2—C3—C4—O4 | −144.2 (3) | C20B—C18—C20A—C25A | 9.7 (14) |
O3—C3—C4—C5 | 94.7 (3) | C25A—C20A—C21A—C22A | 0.0 |
C2—C3—C4—C5 | −22.8 (5) | C18—C20A—C21A—C22A | 175.9 (5) |
C1—O5—C5—C6 | −170.0 (3) | C20A—C21A—C22A—C23A | 0.0 |
C1—O5—C5—C4 | 66.1 (4) | C21A—C22A—C23A—C24A | 0.0 |
O4—C4—C5—O5 | 85.7 (3) | C22A—C23A—C24A—C25A | 0.0 |
C3—C4—C5—O5 | −30.3 (4) | C23A—C24A—C25A—C20A | 0.0 |
O4—C4—C5—C6 | −33.2 (4) | C21A—C20A—C25A—C24A | 0.0 |
C3—C4—C5—C6 | −149.2 (3) | C18—C20A—C25A—C24A | −176.2 (5) |
O5—C5—C6—C7 | 169.6 (3) | C20A—C18—C20B—C21B | 10.2 (14) |
C4—C5—C6—C7 | −68.9 (4) | N1—C18—C20B—C21B | 142.2 (4) |
C18—N1—C7—C6 | 168.5 (3) | C19—C18—C20B—C21B | −101.7 (5) |
C18—N1—C7—C8 | −70.6 (4) | C20A—C18—C20B—C25B | −170.3 (19) |
C5—C6—C7—N1 | −74.5 (4) | N1—C18—C20B—C25B | −38.3 (6) |
C5—C6—C7—C8 | 161.6 (3) | C19—C18—C20B—C25B | 77.8 (5) |
C9—O7—C8—O6 | −7.7 (6) | C25B—C20B—C21B—C22B | 0.0 |
C9—O7—C8—C7 | 169.1 (3) | C18—C20B—C21B—C22B | 179.5 (6) |
N1—C7—C8—O6 | −20.1 (5) | C20B—C21B—C22B—C23B | 0.0 |
C6—C7—C8—O6 | 102.4 (4) | C21B—C22B—C23B—C24B | 0.0 |
N1—C7—C8—O7 | 163.1 (3) | C22B—C23B—C24B—C25B | 0.0 |
C6—C7—C8—O7 | −74.4 (4) | C23B—C24B—C25B—C20B | 0.0 |
C8—O7—C9—C10 | −134.7 (4) | C21B—C20B—C25B—C24B | 0.0 |
C8—O7—C9—C11 | 103.3 (4) | C18—C20B—C25B—C24B | −179.4 (6) |
C2—O2—C12—O1 | −33.6 (4) |