Supporting information
Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536805023950/ww6395sup1.cif | |
Structure factor file (CIF format) https://doi.org/10.1107/S1600536805023950/ww6395Isup2.hkl |
CCDC reference: 284003
Data collection: SMART (Bruker, 1997); cell refinement: SAINT (Bruker, 1997); data reduction: SAINT; 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.
C28H27ClN2O7·0.5C4H10O | F(000) = 2424 |
Mr = 576.03 | Dx = 1.336 Mg m−3 |
Monoclinic, C2/c | Melting point: 419(1) K |
Hall symbol: -C 2yc | Mo Kα radiation, λ = 0.71073 Å |
a = 32.134 (5) Å | Cell parameters from 2931 reflections |
b = 10.8983 (15) Å | θ = 2.5–22.2° |
c = 22.339 (3) Å | µ = 0.19 mm−1 |
β = 132.932 (2)° | T = 293 K |
V = 5727.8 (14) Å3 | Block, colorless |
Z = 8 | 0.26 × 0.24 × 0.20 mm |
Bruker SMART CCD area-detector diffractometer | 5874 independent reflections |
Radiation source: fine-focus sealed tube | 2970 reflections with I > 2σ(I) |
Graphite monochromator | Rint = 0.043 |
φ and ω scans | θmax = 26.4°, θmin = 1.7° |
Absorption correction: multi-scan (SADABS; Bruker, 1997) | h = −40→36 |
Tmin = 0.947, Tmax = 0.964 | k = −13→7 |
15982 measured reflections | l = −26→27 |
Refinement on F2 | 0 restraints |
Least-squares matrix: full | H atoms treated by a mixture of independent and constrained refinement |
R[F2 > 2σ(F2)] = 0.047 | w = 1/[σ2(Fo2) + (0.0551P)2 + 2.3127P] where P = (Fo2 + 2Fc2)/3 |
wR(F2) = 0.138 | (Δ/σ)max < 0.001 |
S = 0.99 | Δρmax = 0.26 e Å−3 |
5874 reflections | Δρmin = −0.30 e Å−3 |
391 parameters |
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) | |
Cl1 | 0.65638 (4) | −0.08399 (8) | 0.60672 (5) | 0.0917 (3) | |
O1 | 0.67906 (8) | −0.19063 (14) | 0.49937 (11) | 0.0610 (5) | |
O2 | 0.67656 (10) | −0.21406 (16) | 0.39832 (13) | 0.0804 (7) | |
O3 | 0.71018 (7) | 0.19258 (15) | 0.62456 (10) | 0.0553 (5) | |
O4 | 0.71095 (8) | 0.37022 (16) | 0.57532 (11) | 0.0621 (5) | |
O5 | 0.66967 (8) | 0.39626 (14) | 0.35689 (10) | 0.0584 (5) | |
O6 | 0.60826 (9) | 0.28906 (18) | 0.18919 (13) | 0.0805 (6) | |
O7 | 0.57086 (9) | 0.69879 (18) | 0.16544 (13) | 0.0800 (6) | |
N1 | 0.65615 (9) | 0.17383 (18) | 0.36978 (13) | 0.0447 (5) | |
H1A | 0.6524 (9) | 0.214 (2) | 0.3334 (14) | 0.041 (7)* | |
N2 | 0.60358 (10) | 0.49967 (19) | 0.19492 (13) | 0.0546 (6) | |
C1 | 0.59980 (13) | −0.0303 (2) | 0.50890 (17) | 0.0596 (8) | |
C2 | 0.54490 (17) | −0.0548 (3) | 0.4773 (2) | 0.0756 (9) | |
H2 | 0.5404 | −0.0967 | 0.5088 | 0.091* | |
C3 | 0.49843 (16) | −0.0168 (3) | 0.4004 (2) | 0.0813 (10) | |
H3 | 0.4621 | −0.0337 | 0.3792 | 0.098* | |
C4 | 0.50516 (13) | 0.0461 (3) | 0.3547 (2) | 0.0740 (9) | |
H4 | 0.4734 | 0.0727 | 0.3025 | 0.089* | |
C5 | 0.55859 (12) | 0.0704 (2) | 0.38525 (17) | 0.0566 (7) | |
H5 | 0.5623 | 0.1138 | 0.3533 | 0.068* | |
C6 | 0.60758 (11) | 0.0314 (2) | 0.46327 (16) | 0.0444 (6) | |
C7 | 0.66566 (10) | 0.05283 (19) | 0.49040 (14) | 0.0418 (6) | |
H7 | 0.6950 | 0.0175 | 0.5451 | 0.050* | |
C8 | 0.66783 (10) | −0.01337 (19) | 0.43232 (14) | 0.0402 (6) | |
C9 | 0.67459 (11) | −0.1475 (2) | 0.43911 (16) | 0.0477 (6) | |
C10 | 0.68353 (14) | −0.3217 (2) | 0.51041 (19) | 0.0726 (9) | |
H10A | 0.6505 | −0.3601 | 0.4611 | 0.109* | |
H10B | 0.6861 | −0.3419 | 0.5547 | 0.109* | |
H10C | 0.7169 | −0.3503 | 0.5228 | 0.109* | |
C11 | 0.66033 (10) | 0.0473 (2) | 0.37288 (14) | 0.0414 (6) | |
C12 | 0.65675 (12) | −0.0054 (2) | 0.30739 (15) | 0.0536 (7) | |
H12A | 0.6942 | −0.0264 | 0.3304 | 0.080* | |
H12B | 0.6404 | 0.0542 | 0.2648 | 0.080* | |
H12C | 0.6334 | −0.0776 | 0.2851 | 0.080* | |
C13 | 0.67130 (10) | 0.2431 (2) | 0.43362 (14) | 0.0396 (6) | |
C14 | 0.67899 (10) | 0.18855 (19) | 0.49485 (14) | 0.0391 (6) | |
C15 | 0.70121 (10) | 0.2610 (2) | 0.56643 (15) | 0.0450 (6) | |
C16 | 0.73538 (14) | 0.2561 (3) | 0.69977 (16) | 0.0709 (9) | |
H16A | 0.7160 | 0.3334 | 0.6876 | 0.085* | |
H16B | 0.7752 | 0.2730 | 0.7309 | 0.085* | |
C17 | 0.72965 (18) | 0.1757 (3) | 0.7473 (2) | 0.1006 (12) | |
H17A | 0.6902 | 0.1581 | 0.7155 | 0.151* | |
H17B | 0.7452 | 0.2165 | 0.7969 | 0.151* | |
H17C | 0.7499 | 0.1005 | 0.7604 | 0.151* | |
C18 | 0.67864 (11) | 0.3777 (2) | 0.42757 (15) | 0.0474 (6) | |
H18A | 0.6515 | 0.4254 | 0.4240 | 0.057* | |
H18B | 0.7166 | 0.4038 | 0.4758 | 0.057* | |
C19 | 0.67463 (12) | 0.5203 (2) | 0.34398 (16) | 0.0555 (7) | |
H19A | 0.7126 | 0.5503 | 0.3895 | 0.067* | |
H19B | 0.6476 | 0.5706 | 0.3393 | 0.067* | |
C20 | 0.66268 (13) | 0.5261 (2) | 0.26657 (18) | 0.0644 (8) | |
H20A | 0.6721 | 0.6074 | 0.2611 | 0.077* | |
H20B | 0.6868 | 0.4676 | 0.2695 | 0.077* | |
C21 | 0.58093 (14) | 0.3835 (3) | 0.16309 (18) | 0.0599 (7) | |
C22 | 0.51909 (13) | 0.4021 (3) | 0.09381 (17) | 0.0570 (7) | |
C23 | 0.47681 (16) | 0.3174 (3) | 0.0415 (2) | 0.0715 (9) | |
H23 | 0.4850 | 0.2342 | 0.0460 | 0.086* | |
C24 | 0.42192 (16) | 0.3605 (4) | −0.0180 (2) | 0.0824 (10) | |
H24 | 0.3926 | 0.3055 | −0.0543 | 0.099* | |
C25 | 0.40998 (15) | 0.4832 (4) | −0.0243 (2) | 0.0826 (10) | |
H25 | 0.3725 | 0.5098 | −0.0644 | 0.099* | |
C26 | 0.45276 (16) | 0.5689 (3) | 0.0281 (2) | 0.0751 (9) | |
H26 | 0.4448 | 0.6522 | 0.0233 | 0.090* | |
C27 | 0.50746 (13) | 0.5248 (3) | 0.08743 (17) | 0.0578 (7) | |
C28 | 0.56176 (13) | 0.5911 (3) | 0.15163 (17) | 0.0581 (7) | |
O9 | 0.4811 (4) | 0.5690 (7) | 0.2526 (7) | 0.091 (3)* | 0.328 (8) |
C29 | 0.4816 (7) | 0.3553 (9) | 0.2206 (10) | 0.113 (6)* | 0.328 (8) |
H29A | 0.5044 | 0.2878 | 0.2293 | 0.170* | 0.328 (8) |
H29B | 0.4658 | 0.3360 | 0.2436 | 0.170* | 0.328 (8) |
H29C | 0.4514 | 0.3698 | 0.1630 | 0.170* | 0.328 (8) |
C30 | 0.5169 (5) | 0.4666 (10) | 0.2719 (9) | 0.095 (5)* | 0.328 (8) |
H30A | 0.5474 | 0.4519 | 0.3294 | 0.114* | 0.328 (8) |
H30B | 0.5331 | 0.4854 | 0.2495 | 0.114* | 0.328 (8) |
C31 | 0.5150 (6) | 0.6817 (9) | 0.2786 (7) | 0.109 (5)* | 0.328 (8) |
H31A | 0.5467 | 0.6668 | 0.2837 | 0.131* | 0.328 (8) |
H31B | 0.5295 | 0.7090 | 0.3308 | 0.131* | 0.328 (8) |
C32 | 0.4781 (8) | 0.7769 (12) | 0.2112 (10) | 0.126 (6)* | 0.328 (8) |
H32A | 0.5000 | 0.8505 | 0.2276 | 0.189* | 0.328 (8) |
H32B | 0.4640 | 0.7502 | 0.1592 | 0.189* | 0.328 (8) |
H32C | 0.4466 | 0.7928 | 0.2067 | 0.189* | 0.328 (8) |
O9' | 0.5280 (8) | 0.5791 (14) | 0.2871 (14) | 0.129 (9)* | 0.172 (8) |
C29' | 0.4890 (10) | 0.3704 (14) | 0.2470 (19) | 0.057 (7)* | 0.172 (8) |
H29D | 0.4566 | 0.3227 | 0.2034 | 0.086* | 0.172 (8) |
H29E | 0.5220 | 0.3428 | 0.2579 | 0.086* | 0.172 (8) |
H29F | 0.4952 | 0.3607 | 0.2953 | 0.086* | 0.172 (8) |
C30' | 0.4799 (9) | 0.5075 (18) | 0.2245 (17) | 0.104 (10)* | 0.172 (8) |
H30C | 0.4732 | 0.5171 | 0.1758 | 0.125* | 0.172 (8) |
H30D | 0.4466 | 0.5348 | 0.2129 | 0.125* | 0.172 (8) |
C31' | 0.5232 (11) | 0.7014 (16) | 0.257 (2) | 0.157 (16)* | 0.172 (8) |
H31C | 0.5141 | 0.7017 | 0.2066 | 0.188* | 0.172 (8) |
H31D | 0.5576 | 0.7474 | 0.2966 | 0.188* | 0.172 (8) |
C32' | 0.4746 (13) | 0.772 (2) | 0.240 (2) | 0.108 (9)* | 0.172 (8) |
H32D | 0.4695 | 0.8551 | 0.2213 | 0.162* | 0.172 (8) |
H32E | 0.4401 | 0.7270 | 0.2004 | 0.162* | 0.172 (8) |
H32F | 0.4840 | 0.7732 | 0.2911 | 0.162* | 0.172 (8) |
U11 | U22 | U33 | U12 | U13 | U23 | |
Cl1 | 0.1254 (8) | 0.0867 (6) | 0.0815 (6) | 0.0115 (5) | 0.0777 (6) | 0.0237 (4) |
O1 | 0.0878 (15) | 0.0362 (10) | 0.0714 (12) | 0.0043 (9) | 0.0591 (12) | 0.0023 (9) |
O2 | 0.139 (2) | 0.0406 (11) | 0.0962 (15) | 0.0066 (11) | 0.0935 (16) | −0.0064 (10) |
O3 | 0.0711 (13) | 0.0518 (11) | 0.0456 (10) | −0.0017 (9) | 0.0407 (10) | −0.0069 (8) |
O4 | 0.0826 (15) | 0.0467 (11) | 0.0642 (12) | −0.0153 (9) | 0.0528 (12) | −0.0185 (9) |
O5 | 0.0878 (15) | 0.0360 (10) | 0.0587 (11) | −0.0028 (9) | 0.0528 (11) | 0.0002 (8) |
O6 | 0.0962 (17) | 0.0503 (12) | 0.0917 (16) | 0.0129 (11) | 0.0627 (15) | 0.0066 (11) |
O7 | 0.0986 (17) | 0.0463 (12) | 0.0862 (15) | 0.0032 (11) | 0.0595 (14) | 0.0024 (11) |
N1 | 0.0592 (15) | 0.0353 (12) | 0.0458 (13) | −0.0006 (9) | 0.0382 (12) | −0.0028 (10) |
N2 | 0.0663 (16) | 0.0456 (13) | 0.0564 (14) | 0.0009 (11) | 0.0436 (14) | 0.0053 (11) |
C1 | 0.084 (2) | 0.0425 (15) | 0.0722 (19) | −0.0019 (14) | 0.0614 (19) | −0.0028 (13) |
C2 | 0.106 (3) | 0.0590 (19) | 0.113 (3) | −0.0157 (18) | 0.094 (3) | −0.0093 (19) |
C3 | 0.073 (3) | 0.087 (2) | 0.103 (3) | −0.0180 (19) | 0.067 (3) | −0.017 (2) |
C4 | 0.058 (2) | 0.086 (2) | 0.079 (2) | −0.0094 (16) | 0.0467 (19) | −0.0146 (17) |
C5 | 0.0530 (19) | 0.0576 (17) | 0.0668 (19) | −0.0050 (13) | 0.0438 (17) | −0.0096 (14) |
C6 | 0.0575 (18) | 0.0348 (13) | 0.0549 (16) | −0.0034 (11) | 0.0438 (15) | −0.0073 (11) |
C7 | 0.0468 (16) | 0.0363 (13) | 0.0400 (13) | 0.0020 (11) | 0.0287 (13) | −0.0018 (10) |
C8 | 0.0421 (15) | 0.0338 (13) | 0.0453 (14) | −0.0025 (10) | 0.0300 (13) | −0.0062 (11) |
C9 | 0.0527 (17) | 0.0376 (14) | 0.0551 (16) | −0.0015 (11) | 0.0377 (15) | −0.0062 (12) |
C10 | 0.101 (3) | 0.0360 (15) | 0.087 (2) | 0.0039 (15) | 0.067 (2) | 0.0068 (14) |
C11 | 0.0367 (15) | 0.0379 (13) | 0.0466 (14) | −0.0016 (10) | 0.0272 (13) | −0.0080 (11) |
C12 | 0.0619 (18) | 0.0524 (16) | 0.0523 (16) | −0.0018 (13) | 0.0412 (15) | −0.0096 (12) |
C13 | 0.0381 (14) | 0.0368 (13) | 0.0423 (14) | 0.0009 (10) | 0.0268 (12) | −0.0042 (11) |
C14 | 0.0381 (14) | 0.0355 (13) | 0.0418 (13) | −0.0010 (10) | 0.0265 (12) | −0.0062 (11) |
C15 | 0.0453 (16) | 0.0429 (15) | 0.0485 (15) | −0.0019 (12) | 0.0325 (13) | −0.0077 (12) |
C16 | 0.085 (2) | 0.075 (2) | 0.0480 (17) | −0.0041 (17) | 0.0437 (18) | −0.0151 (15) |
C17 | 0.146 (4) | 0.103 (3) | 0.070 (2) | 0.004 (2) | 0.081 (3) | −0.0056 (19) |
C18 | 0.0538 (17) | 0.0383 (14) | 0.0519 (15) | −0.0015 (11) | 0.0367 (14) | −0.0034 (11) |
C19 | 0.0571 (18) | 0.0401 (15) | 0.0565 (16) | −0.0047 (12) | 0.0336 (15) | 0.0011 (12) |
C20 | 0.071 (2) | 0.0534 (17) | 0.080 (2) | 0.0024 (14) | 0.0558 (19) | 0.0137 (15) |
C21 | 0.083 (2) | 0.0487 (17) | 0.0657 (19) | 0.0009 (16) | 0.0579 (19) | 0.0037 (15) |
C22 | 0.070 (2) | 0.0583 (18) | 0.0600 (18) | −0.0042 (15) | 0.0511 (18) | 0.0031 (14) |
C23 | 0.089 (3) | 0.068 (2) | 0.079 (2) | −0.0152 (19) | 0.066 (2) | −0.0050 (17) |
C24 | 0.078 (3) | 0.104 (3) | 0.083 (2) | −0.022 (2) | 0.061 (2) | −0.014 (2) |
C25 | 0.068 (2) | 0.113 (3) | 0.075 (2) | 0.001 (2) | 0.052 (2) | 0.001 (2) |
C26 | 0.083 (3) | 0.081 (2) | 0.075 (2) | 0.010 (2) | 0.059 (2) | 0.0084 (18) |
C27 | 0.070 (2) | 0.0593 (18) | 0.0564 (17) | 0.0032 (15) | 0.0478 (18) | 0.0060 (14) |
C28 | 0.079 (2) | 0.0506 (17) | 0.0592 (18) | 0.0061 (15) | 0.0528 (18) | 0.0077 (14) |
Cl1—C1 | 1.735 (3) | O9—C31i | 1.459 (12) |
O1—C9 | 1.338 (3) | O9—C31 | 1.472 (9) |
O1—C10 | 1.440 (3) | O9—H30D | 0.9031 |
O2—C9 | 1.200 (3) | C29—C29i | 1.00 (3) |
O3—C15 | 1.348 (3) | C29—C30i | 1.221 (11) |
O3—C16 | 1.451 (3) | C29—C30 | 1.518 (9) |
O4—C15 | 1.212 (3) | C29—H29A | 0.9601 |
O5—C18 | 1.413 (3) | C29—H29B | 0.9598 |
O5—C19 | 1.413 (3) | C29—H29C | 0.9600 |
O6—C21 | 1.214 (3) | C29—H29D | 0.7043 |
O7—C28 | 1.198 (3) | C29—H29E | 0.9619 |
N1—C13 | 1.377 (3) | C29—H29F | 1.4083 |
N1—C11 | 1.383 (3) | C30—C30i | 0.83 (2) |
N1—H1A | 0.86 (2) | C30—C29i | 1.221 (11) |
N2—C21 | 1.390 (3) | C30—O9i | 1.264 (15) |
N2—C28 | 1.401 (3) | C30—H30A | 0.9600 |
N2—C20 | 1.453 (3) | C30—H30B | 0.9601 |
C1—C6 | 1.379 (3) | C30—H29E | 1.4193 |
C1—C2 | 1.409 (4) | C31—C31i | 0.94 (2) |
C2—C3 | 1.362 (5) | C31—C32i | 1.053 (11) |
C2—H2 | 0.9300 | C31—O9i | 1.459 (12) |
C3—C4 | 1.365 (4) | C31—C32 | 1.522 (9) |
C3—H3 | 0.9300 | C31—H31A | 0.9601 |
C4—C5 | 1.374 (4) | C31—H31B | 0.9602 |
C4—H4 | 0.9300 | C31—H31D | 1.3430 |
C5—C6 | 1.399 (4) | C31—H32F | 1.5631 |
C5—H5 | 0.9300 | C32—C31i | 1.053 (11) |
C6—C7 | 1.538 (3) | C32—C32i | 1.29 (3) |
C7—C14 | 1.524 (3) | C32—H32A | 0.9600 |
C7—C8 | 1.527 (3) | C32—H32B | 0.9600 |
C7—H7 | 0.9800 | C32—H32C | 0.9600 |
C8—C11 | 1.350 (3) | C32—H31C | 1.4787 |
C8—C9 | 1.470 (3) | C32—H32D | 0.9684 |
C10—H10A | 0.9600 | C32—H32E | 1.1995 |
C10—H10B | 0.9600 | O9'—C30'i | 0.807 (18) |
C10—H10C | 0.9600 | O9'—O9'i | 1.39 (4) |
C11—C12 | 1.501 (3) | O9'—C30' | 1.418 (10) |
C12—H12A | 0.9600 | O9'—C31' | 1.450 (10) |
C12—H12B | 0.9600 | O9'—C31'i | 1.80 (3) |
C12—H12C | 0.9600 | O9'—H30B | 1.4016 |
C13—C14 | 1.351 (3) | O9'—H31A | 1.1583 |
C13—C18 | 1.505 (3) | C29'—C29'i | 0.62 (4) |
C14—C15 | 1.461 (3) | C29'—C30' | 1.540 (10) |
C16—C17 | 1.482 (4) | C29'—C30'i | 1.66 (2) |
C16—H16A | 0.9700 | C29'—H29A | 1.2151 |
C16—H16B | 0.9700 | C29'—H29B | 0.7914 |
C17—H17A | 0.9600 | C29'—H29C | 1.3759 |
C17—H17B | 0.9600 | C29'—H29D | 0.9600 |
C17—H17C | 0.9600 | C29'—H29E | 0.9599 |
C18—H18A | 0.9700 | C29'—H29F | 0.9599 |
C18—H18B | 0.9700 | C30'—O9'i | 0.807 (18) |
C19—C20 | 1.496 (4) | C30'—C30'i | 0.98 (4) |
C19—H19A | 0.9700 | C30'—C29'i | 1.66 (2) |
C19—H19B | 0.9700 | C30'—H30B | 1.4122 |
C20—H20A | 0.9700 | C30'—H30C | 0.9601 |
C20—H20B | 0.9700 | C30'—H30D | 0.9598 |
C21—C22 | 1.482 (4) | C31'—C32'i | 0.78 (3) |
C22—C27 | 1.369 (4) | C31'—C31'i | 1.29 (5) |
C22—C23 | 1.379 (4) | C31'—C32' | 1.538 (10) |
C23—C24 | 1.380 (4) | C31'—O9'i | 1.80 (3) |
C23—H23 | 0.9300 | C31'—H31A | 0.6737 |
C24—C25 | 1.372 (5) | C31'—H31B | 1.5102 |
C24—H24 | 0.9300 | C31'—H31C | 0.9600 |
C25—C26 | 1.393 (4) | C31'—H31D | 0.9600 |
C25—H25 | 0.9300 | C32'—C31'i | 0.78 (3) |
C26—C27 | 1.379 (4) | C32'—C32'i | 1.37 (6) |
C26—H26 | 0.9300 | C32'—H32A | 1.3321 |
C27—C28 | 1.488 (4) | C32'—H32C | 0.7079 |
O9—C30i | 1.264 (15) | C32'—H32D | 0.9599 |
O9—O9i | 1.296 (15) | C32'—H32E | 0.9601 |
O9—C30 | 1.441 (8) | C32'—H32F | 0.9600 |
C9—O1—C10 | 116.80 (19) | O9—C31—H31A | 110.2 |
C15—O3—C16 | 115.86 (19) | C32—C31—H31A | 106.4 |
C18—O5—C19 | 113.56 (18) | C31i—C31—H31B | 148.3 |
C13—N1—C11 | 122.8 (2) | C32i—C31—H31B | 64.9 |
C13—N1—H1A | 114.9 (15) | O9i—C31—H31B | 135.4 |
C11—N1—H1A | 120.5 (15) | O9—C31—H31B | 110.8 |
C21—N2—C28 | 111.9 (2) | C32—C31—H31B | 113.3 |
C21—N2—C20 | 125.5 (2) | H31A—C31—H31B | 108.0 |
C28—N2—C20 | 122.6 (2) | C31i—C31—H31D | 107.3 |
C6—C1—C2 | 121.2 (3) | C32i—C31—H31D | 52.2 |
C6—C1—Cl1 | 122.2 (2) | O9i—C31—H31D | 100.9 |
C2—C1—Cl1 | 116.6 (2) | O9—C31—H31D | 153.2 |
C3—C2—C1 | 119.8 (3) | C32—C31—H31D | 83.2 |
C3—C2—H2 | 120.1 | H31A—C31—H31D | 43.1 |
C1—C2—H2 | 120.1 | H31B—C31—H31D | 85.3 |
C2—C3—C4 | 120.0 (3) | C31i—C31—H32F | 93.2 |
C2—C3—H3 | 120.0 | C32i—C31—H32F | 53.1 |
C4—C3—H3 | 120.0 | O9i—C31—H32F | 153.5 |
C3—C4—C5 | 120.4 (3) | O9—C31—H32F | 102.3 |
C3—C4—H4 | 119.8 | C32—C31—H32F | 65.2 |
C5—C4—H4 | 119.8 | H31A—C31—H32F | 147.3 |
C4—C5—C6 | 121.7 (3) | H31B—C31—H32F | 55.1 |
C4—C5—H5 | 119.1 | H31D—C31—H32F | 104.5 |
C6—C5—H5 | 119.1 | C31i—C32—C32i | 80.4 (13) |
C1—C6—C5 | 116.9 (3) | C31i—C32—C31 | 37.6 (11) |
C1—C6—C7 | 124.4 (2) | C32i—C32—C31 | 43.0 (7) |
C5—C6—C7 | 118.6 (2) | C31i—C32—H32A | 138.4 |
C14—C7—C8 | 109.92 (18) | C32i—C32—H32A | 68.9 |
C14—C7—C6 | 112.61 (18) | C31—C32—H32A | 108.5 |
C8—C7—C6 | 109.82 (18) | C31i—C32—H32B | 79.6 |
C14—C7—H7 | 108.1 | C32i—C32—H32B | 144.0 |
C8—C7—H7 | 108.1 | C31—C32—H32B | 113.5 |
C6—C7—H7 | 108.1 | H32A—C32—H32B | 109.5 |
C11—C8—C9 | 120.2 (2) | C31i—C32—H32C | 104.8 |
C11—C8—C7 | 121.56 (19) | C32i—C32—H32C | 104.5 |
C9—C8—C7 | 118.1 (2) | C31—C32—H32C | 106.4 |
O2—C9—O1 | 121.8 (2) | H32A—C32—H32C | 109.5 |
O2—C9—C8 | 127.1 (2) | H32B—C32—H32C | 109.5 |
O1—C9—C8 | 111.1 (2) | C31i—C32—H31C | 53.7 |
O1—C10—H10A | 109.5 | C32i—C32—H31C | 84.4 |
O1—C10—H10B | 109.5 | C31—C32—H31C | 64.6 |
H10A—C10—H10B | 109.5 | H32A—C32—H31C | 94.8 |
O1—C10—H10C | 109.5 | H32B—C32—H31C | 59.6 |
H10A—C10—H10C | 109.5 | H32C—C32—H31C | 155.7 |
H10B—C10—H10C | 109.5 | C31i—C32—H32D | 150.4 |
C8—C11—N1 | 118.9 (2) | C32i—C32—H32D | 84.9 |
C8—C11—C12 | 127.9 (2) | C31—C32—H32D | 121.5 |
N1—C11—C12 | 113.1 (2) | H32A—C32—H32D | 54.9 |
C11—C12—H12A | 109.5 | H32B—C32—H32D | 125.0 |
C11—C12—H12B | 109.5 | H32C—C32—H32D | 54.5 |
H12A—C12—H12B | 109.5 | H31C—C32—H32D | 149.8 |
C11—C12—H12C | 109.5 | C31i—C32—H32E | 68.6 |
H12A—C12—H12C | 109.5 | C32i—C32—H32E | 107.6 |
H12B—C12—H12C | 109.5 | C31—C32—H32E | 83.8 |
C14—C13—N1 | 119.9 (2) | H32A—C32—H32E | 146.6 |
C14—C13—C18 | 126.0 (2) | H32B—C32—H32E | 92.5 |
N1—C13—C18 | 114.1 (2) | H32C—C32—H32E | 37.7 |
C13—C14—C15 | 119.1 (2) | H31C—C32—H32E | 118.2 |
C13—C14—C7 | 120.77 (19) | H32D—C32—H32E | 92.0 |
C15—C14—C7 | 120.2 (2) | C30'i—O9'—O9'i | 75 (3) |
O4—C15—O3 | 121.6 (2) | C30'i—O9'—C30' | 42 (2) |
O4—C15—C14 | 126.1 (2) | O9'i—O9'—C30' | 33.4 (9) |
O3—C15—C14 | 112.3 (2) | C30'i—O9'—C31' | 146 (4) |
O3—C16—C17 | 107.7 (2) | O9'i—O9'—C31' | 78.8 (12) |
O3—C16—H16A | 110.2 | C30'—O9'—C31' | 110.5 (10) |
C17—C16—H16A | 110.2 | C30'i—O9'—C31'i | 125 (3) |
O3—C16—H16B | 110.2 | O9'i—O9'—C31'i | 52.1 (11) |
C17—C16—H16B | 110.2 | C30'—O9'—C31'i | 83.7 (17) |
H16A—C16—H16B | 108.5 | C31'—O9'—C31'i | 45.1 (17) |
C16—C17—H17A | 109.5 | C30'i—O9'—H30B | 40.8 |
C16—C17—H17B | 109.5 | O9'i—O9'—H30B | 82.6 |
H17A—C17—H17B | 109.5 | C30'—O9'—H30B | 60.1 |
C16—C17—H17C | 109.5 | C31'—O9'—H30B | 114.5 |
H17A—C17—H17C | 109.5 | C31'i—O9'—H30B | 130.1 |
H17B—C17—H17C | 109.5 | C30'i—O9'—H31A | 147.3 |
O5—C18—C13 | 108.35 (18) | O9'i—O9'—H31A | 103.3 |
O5—C18—H18A | 110.0 | C30'—O9'—H31A | 130.9 |
C13—C18—H18A | 110.0 | C31'—O9'—H31A | 27.1 |
O5—C18—H18B | 110.0 | C31'i—O9'—H31A | 70.9 |
C13—C18—H18B | 110.0 | H30B—O9'—H31A | 106.5 |
H18A—C18—H18B | 108.4 | C29'i—C29'—C30' | 90 (2) |
O5—C19—C20 | 107.5 (2) | C29'i—C29'—C30'i | 67.7 (18) |
O5—C19—H19A | 110.2 | C30'—C29'—C30'i | 35.4 (12) |
C20—C19—H19A | 110.2 | C29'i—C29'—H29A | 54.3 |
O5—C19—H19B | 110.2 | C30'—C29'—H29A | 129.9 |
C20—C19—H19B | 110.2 | C30'i—C29'—H29A | 121.2 |
H19A—C19—H19B | 108.5 | C29'i—C29'—H29B | 151.4 |
N2—C20—C19 | 112.3 (2) | C30'—C29'—H29B | 118.1 |
N2—C20—H20A | 109.2 | C30'i—C29'—H29B | 138.0 |
C19—C20—H20A | 109.2 | H29A—C29'—H29B | 100.6 |
N2—C20—H20B | 109.2 | C29'i—C29'—H29C | 96.1 |
C19—C20—H20B | 109.2 | C30'—C29'—H29C | 76.3 |
H20A—C20—H20B | 107.9 | C30'i—C29'—H29C | 105.5 |
O6—C21—N2 | 124.8 (3) | H29A—C29'—H29C | 74.2 |
O6—C21—C22 | 129.4 (3) | H29B—C29'—H29C | 88.4 |
N2—C21—C22 | 105.8 (2) | C29'i—C29'—H29D | 120.2 |
C27—C22—C23 | 121.6 (3) | C30'—C29'—H29D | 111.1 |
C27—C22—C21 | 108.6 (2) | C30'i—C29'—H29D | 145.9 |
C23—C22—C21 | 129.8 (3) | H29A—C29'—H29D | 70.6 |
C22—C23—C24 | 117.6 (3) | H29B—C29'—H29D | 49.3 |
C22—C23—H23 | 121.2 | H29C—C29'—H29D | 43.5 |
C24—C23—H23 | 121.2 | C29'i—C29'—H29E | 18.3 |
C25—C24—C23 | 121.0 (3) | C30'—C29'—H29E | 108.5 |
C25—C24—H24 | 119.5 | C30'i—C29'—H29E | 85.0 |
C23—C24—H24 | 119.5 | H29A—C29'—H29E | 39.4 |
C24—C25—C26 | 121.4 (3) | H29B—C29'—H29E | 133.1 |
C24—C25—H25 | 119.3 | H29C—C29'—H29E | 97.9 |
C26—C25—H25 | 119.3 | H29D—C29'—H29E | 109.5 |
C27—C26—C25 | 117.2 (3) | C29'i—C29'—H29F | 115.0 |
C27—C26—H26 | 121.4 | C30'—C29'—H29F | 108.8 |
C25—C26—H26 | 121.4 | C30'i—C29'—H29F | 93.3 |
C22—C27—C26 | 121.3 (3) | H29A—C29'—H29F | 117.7 |
C22—C27—C28 | 108.4 (3) | H29B—C29'—H29F | 61.0 |
C26—C27—C28 | 130.3 (3) | H29C—C29'—H29F | 148.1 |
O7—C28—N2 | 124.6 (3) | H29D—C29'—H29F | 109.5 |
O7—C28—C27 | 130.1 (3) | H29E—C29'—H29F | 109.5 |
N2—C28—C27 | 105.3 (2) | O9'i—C30'—C30'i | 105 (2) |
C30i—O9—O9i | 68.5 (8) | O9'i—C30'—O9' | 71 (3) |
C30i—O9—C30 | 35.0 (10) | C30'i—C30'—O9' | 33.4 (9) |
O9i—O9—C30 | 54.7 (8) | O9'i—C30'—C29' | 172 (5) |
C30i—O9—C31i | 119.3 (11) | C30'i—C30'—C29' | 79.3 (12) |
O9i—O9—C31i | 64.3 (6) | O9'—C30'—C29' | 112.0 (10) |
C30—O9—C31i | 118.9 (11) | O9'i—C30'—C29'i | 165 (4) |
C30i—O9—C31 | 131.7 (11) | C30'i—C30'—C29'i | 65.4 (13) |
O9i—O9—C31 | 63.3 (7) | O9'—C30'—C29'i | 98.6 (18) |
C30—O9—C31 | 107.7 (7) | C29'—C30'—C29'i | 22.0 (15) |
C31i—O9—C31 | 37.4 (9) | O9'i—C30'—H30B | 109.0 |
C30i—O9—H30D | 66.4 | C30'i—C30'—H30B | 42.2 |
O9i—O9—H30D | 120.5 | O9'—C30'—H30B | 59.4 |
C30—O9—H30D | 99.7 | C29'—C30'—H30B | 78.2 |
C31i—O9—H30D | 108.9 | C29'i—C30'—H30B | 56.3 |
C31—O9—H30D | 144.5 | O9'i—C30'—H30C | 75.7 |
C29i—C29—C30i | 85.4 (12) | C30'i—C30'—H30C | 114.7 |
C29i—C29—C30 | 53.3 (7) | O9'—C30'—H30C | 108.0 |
C30i—C29—C30 | 33.1 (10) | C29'—C30'—H30C | 108.9 |
C29i—C29—H29A | 71.1 | C29'i—C30'—H30C | 98.3 |
C30i—C29—H29A | 141.1 | H30B—C30'—H30C | 75.1 |
C30—C29—H29A | 112.6 | O9'i—C30'—H30D | 64.0 |
C29i—C29—H29B | 83.3 | C30'i—C30'—H30D | 131.0 |
C30i—C29—H29B | 97.6 | O9'—C30'—H30D | 111.2 |
C30—C29—H29B | 99.6 | C29'—C30'—H30D | 108.5 |
H29A—C29—H29B | 109.5 | C29'i—C30'—H30D | 130.5 |
C29i—C29—H29C | 165.4 | H30B—C30'—H30D | 170.4 |
C30i—C29—H29C | 85.9 | H30C—C30'—H30D | 108.1 |
C30—C29—H29C | 115.7 | C32'i—C31'—C31'i | 93 (4) |
H29A—C29—H29C | 109.5 | C32'i—C31'—O9' | 155 (6) |
H29B—C29—H29C | 109.5 | C31'i—C31'—O9' | 82.0 (18) |
C29i—C29—H29D | 127.2 | C32'i—C31'—C32' | 63 (5) |
C30i—C29—H29D | 120.1 | C31'i—C31'—C32' | 30.2 (12) |
C30—C29—H29D | 143.5 | O9'—C31'—C32' | 110.5 (10) |
H29A—C29—H29D | 98.7 | C32'i—C31'—O9'i | 141 (4) |
H29B—C29—H29D | 50.4 | C31'i—C31'—O9'i | 52.8 (12) |
H29C—C29—H29D | 67.4 | O9'—C31'—O9'i | 49.1 (12) |
C29i—C29—H29E | 34.2 | C32'—C31'—O9'i | 81.0 (15) |
C30i—C29—H29E | 96.7 | C32'i—C31'—H31A | 120.3 |
C30—C29—H29E | 65.4 | C31'i—C31'—H31A | 129.6 |
H29A—C29—H29E | 47.3 | O9'—C31'—H31A | 51.5 |
H29B—C29—H29E | 113.6 | C32'—C31'—H31A | 147.6 |
H29C—C29—H29E | 136.0 | O9'i—C31'—H31A | 97.3 |
H29D—C29—H29E | 139.9 | C32'i—C31'—H31B | 86.0 |
C29i—C29—H29F | 46.6 | C31'i—C31'—H31B | 63.6 |
C30i—C29—H29F | 81.1 | O9'—C31'—H31B | 70.1 |
C30—C29—H29F | 66.6 | C32'—C31'—H31B | 66.9 |
H29A—C29—H29F | 102.3 | O9'i—C31'—H31B | 92.1 |
H29B—C29—H29F | 39.3 | H31A—C31'—H31B | 80.9 |
H29C—C29—H29F | 142.7 | C32'i—C31'—H31C | 91.2 |
H29D—C29—H29F | 89.4 | C31'i—C31'—H31C | 109.2 |
H29E—C29—H29F | 80.4 | O9'—C31'—H31C | 113.3 |
C30i—C30—C29i | 93.4 (11) | C32'—C31'—H31C | 105.2 |
C30i—C30—O9i | 84.2 (14) | O9'i—C31'—H31C | 85.5 |
C29i—C30—O9i | 158.0 (19) | H31A—C31'—H31C | 106.9 |
C30i—C30—O9 | 60.8 (12) | H31B—C31'—H31C | 172.1 |
C29i—C30—O9 | 139.5 (16) | C32'i—C31'—H31D | 54.7 |
O9i—C30—O9 | 56.8 (7) | C31'i—C31'—H31D | 130.3 |
C30i—C30—C29 | 53.4 (7) | O9'—C31'—H31D | 111.4 |
C29i—C30—C29 | 41.3 (16) | C32'—C31'—H31D | 108.0 |
O9i—C30—C29 | 127.6 (13) | O9'i—C31'—H31D | 160.3 |
O9—C30—C29 | 111.1 (8) | H31A—C31'—H31D | 65.6 |
C30i—C30—H30A | 154.4 | H31B—C31'—H31D | 76.3 |
C29i—C30—H30A | 75.0 | H31C—C31'—H31D | 108.1 |
O9i—C30—H30A | 114.9 | C31'i—C32'—C32'i | 87 (4) |
O9—C30—H30A | 114.2 | C31'i—C32'—C31' | 57 (3) |
C29—C30—H30A | 115.7 | C32'i—C32'—C31' | 30.2 (12) |
C30i—C30—H30B | 97.1 | C31'i—C32'—H32A | 127.9 |
C29i—C30—H30B | 107.2 | C32'i—C32'—H32A | 45.8 |
O9i—C30—H30B | 51.7 | C31'—C32'—H32A | 73.3 |
O9—C30—H30B | 106.6 | C31'i—C32'—H32C | 112.1 |
C29—C30—H30B | 99.7 | C32'i—C32'—H32C | 135.9 |
H30A—C30—H30B | 108.1 | C31'—C32'—H32C | 140.0 |
C30i—C30—H29E | 89.7 | H32A—C32'—H32C | 95.5 |
C29i—C30—H29E | 23.9 | C31'i—C32'—H32D | 161.4 |
O9i—C30—H29E | 134.1 | C32'i—C32'—H32D | 87.2 |
O9—C30—H29E | 149.1 | C31'—C32'—H32D | 115.1 |
C29—C30—H29E | 38.1 | H32A—C32'—H32D | 41.9 |
H30A—C30—H29E | 88.3 | H32C—C32'—H32D | 61.8 |
H30B—C30—H29E | 84.3 | C31'i—C32'—H32E | 62.8 |
C31i—C31—C32i | 99.4 (13) | C32'i—C32'—H32E | 132.1 |
C31i—C31—O9i | 72.0 (10) | C31'—C32'—H32E | 108.0 |
C32i—C31—O9i | 149 (2) | H32A—C32'—H32E | 128.4 |
C31i—C31—O9 | 70.5 (9) | H32C—C32'—H32E | 49.4 |
C32i—C31—O9 | 154 (2) | H32D—C32'—H32E | 109.5 |
O9i—C31—O9 | 52.5 (6) | C31'i—C32'—H32F | 89.1 |
C31i—C31—C32 | 43.0 (7) | C32'i—C32'—H32F | 106.0 |
C32i—C31—C32 | 56.6 (17) | C31'—C32'—H32F | 105.2 |
O9i—C31—C32 | 111.3 (11) | H32A—C32'—H32F | 120.1 |
O9—C31—C32 | 108.0 (8) | H32C—C32'—H32F | 113.3 |
C31i—C31—H31A | 100.5 | H32D—C32'—H32F | 109.5 |
C32i—C31—H31A | 95.1 | H32E—C32'—H32F | 109.5 |
O9i—C31—H31A | 58.9 | ||
C6—C1—C2—C3 | −0.2 (4) | C26—C27—C28—N2 | 179.3 (3) |
Cl1—C1—C2—C3 | −179.1 (2) | O9i—O9—C30—C30i | −103 (3) |
C1—C2—C3—C4 | −0.8 (5) | C31i—O9—C30—C30i | −101 (2) |
C2—C3—C4—C5 | 0.7 (5) | C31—O9—C30—C30i | −140 (2) |
C3—C4—C5—C6 | 0.4 (4) | C30i—O9—C30—C29i | −57 (2) |
C2—C1—C6—C5 | 1.2 (4) | O9i—O9—C30—C29i | −160 (3) |
Cl1—C1—C6—C5 | −179.89 (18) | C31i—O9—C30—C29i | −157 (2) |
C2—C1—C6—C7 | −174.9 (2) | C31—O9—C30—C29i | 164 (2) |
Cl1—C1—C6—C7 | 4.0 (3) | C30i—O9—C30—O9i | 103 (3) |
C4—C5—C6—C1 | −1.3 (4) | C31i—O9—C30—O9i | 2.6 (9) |
C4—C5—C6—C7 | 175.1 (2) | C31—O9—C30—O9i | −36.5 (9) |
C1—C6—C7—C14 | −121.0 (2) | C30i—O9—C30—C29 | −18.8 (15) |
C5—C6—C7—C14 | 62.9 (3) | O9i—O9—C30—C29 | −122.0 (16) |
C1—C6—C7—C8 | 116.1 (2) | C31i—O9—C30—C29 | −119.4 (14) |
C5—C6—C7—C8 | −60.0 (3) | C31—O9—C30—C29 | −158.5 (13) |
C14—C7—C8—C11 | −23.4 (3) | C29i—C29—C30—C30i | −163 (4) |
C6—C7—C8—C11 | 101.1 (2) | C30i—C29—C30—C29i | 163 (4) |
C14—C7—C8—C9 | 160.6 (2) | C29i—C29—C30—O9i | 154 (2) |
C6—C7—C8—C9 | −74.9 (3) | C30i—C29—C30—O9i | −43 (2) |
C10—O1—C9—O2 | −3.0 (4) | C29i—C29—C30—O9 | −143 (3) |
C10—O1—C9—C8 | 177.5 (2) | C30i—C29—C30—O9 | 20.5 (19) |
C11—C8—C9—O2 | 3.2 (4) | C30i—O9—C31—C31i | 85.0 (19) |
C7—C8—C9—O2 | 179.2 (3) | O9i—O9—C31—C31i | 81.9 (17) |
C11—C8—C9—O1 | −177.4 (2) | C30—O9—C31—C31i | 114.8 (18) |
C7—C8—C9—O1 | −1.3 (3) | C30i—O9—C31—C32i | 156 (4) |
C9—C8—C11—N1 | −177.7 (2) | O9i—O9—C31—C32i | 153 (4) |
C7—C8—C11—N1 | 6.4 (3) | C30—O9—C31—C32i | −174 (4) |
C9—C8—C11—C12 | 1.1 (4) | C31i—O9—C31—C32i | 71 (4) |
C7—C8—C11—C12 | −174.9 (2) | C30i—O9—C31—O9i | 3.1 (11) |
C13—N1—C11—C8 | 14.5 (3) | C30—O9—C31—O9i | 32.9 (9) |
C13—N1—C11—C12 | −164.5 (2) | C31i—O9—C31—O9i | −81.9 (17) |
C11—N1—C13—C14 | −14.8 (3) | C30i—O9—C31—C32 | 106.5 (16) |
C11—N1—C13—C18 | 164.3 (2) | O9i—O9—C31—C32 | 103.3 (13) |
N1—C13—C14—C15 | 173.2 (2) | C30—O9—C31—C32 | 136.3 (14) |
C18—C13—C14—C15 | −5.8 (4) | C31i—O9—C31—C32 | 21.5 (14) |
N1—C13—C14—C7 | −5.8 (3) | C32i—C31—C32—C31i | 173 (5) |
C18—C13—C14—C7 | 175.2 (2) | O9i—C31—C32—C31i | 25 (2) |
C8—C7—C14—C13 | 23.0 (3) | O9—C31—C32—C31i | −30 (2) |
C6—C7—C14—C13 | −99.8 (3) | C31i—C31—C32—C32i | −173 (5) |
C8—C7—C14—C15 | −156.0 (2) | O9i—C31—C32—C32i | −148 (3) |
C6—C7—C14—C15 | 81.2 (3) | O9—C31—C32—C32i | 156 (3) |
C16—O3—C15—O4 | −3.7 (3) | C30'i—O9'—C30'—O9'i | −175 (11) |
C16—O3—C15—C14 | 176.5 (2) | C31'—O9'—C30'—O9'i | −20 (4) |
C13—C14—C15—O4 | 4.5 (4) | C31'i—O9'—C30'—O9'i | 17 (3) |
C7—C14—C15—O4 | −176.5 (2) | O9'i—O9'—C30'—C30'i | 175 (11) |
C13—C14—C15—O3 | −175.8 (2) | C31'—O9'—C30'—C30'i | 156 (7) |
C7—C14—C15—O3 | 3.2 (3) | C31'i—O9'—C30'—C30'i | −168 (8) |
C15—O3—C16—C17 | 167.2 (2) | C30'i—O9'—C30'—C29' | 12 (5) |
C19—O5—C18—C13 | 179.1 (2) | O9'i—O9'—C30'—C29' | −173 (6) |
C14—C13—C18—O5 | 176.8 (2) | C31'—O9'—C30'—C29' | 168 (3) |
N1—C13—C18—O5 | −2.2 (3) | C31'i—O9'—C30'—C29' | −155 (3) |
C18—O5—C19—C20 | −178.6 (2) | C30'i—O9'—C30'—C29'i | −6 (5) |
C21—N2—C20—C19 | −87.4 (3) | O9'i—O9'—C30'—C29'i | 169 (5) |
C28—N2—C20—C19 | 89.6 (3) | C31'—O9'—C30'—C29'i | 149 (2) |
O5—C19—C20—N2 | 68.5 (3) | C31'i—O9'—C30'—C29'i | −174 (3) |
C28—N2—C21—O6 | 179.5 (3) | C29'i—C29'—C30'—O9'i | −170 (31) |
C20—N2—C21—O6 | −3.3 (4) | C30'i—C29'—C30'—O9'i | −121 (34) |
C28—N2—C21—C22 | −0.6 (3) | C29'i—C29'—C30'—C30'i | −49 (7) |
C20—N2—C21—C22 | 176.7 (2) | C29'i—C29'—C30'—O9' | −55 (6) |
O6—C21—C22—C27 | 179.6 (3) | C30'i—C29'—C30'—O9' | −7 (3) |
N2—C21—C22—C27 | −0.4 (3) | C30'i—C29'—C30'—C29'i | 49 (7) |
O6—C21—C22—C23 | 0.1 (5) | C30'i—O9'—C31'—C32'i | 167 (11) |
N2—C21—C22—C23 | −179.8 (3) | O9'i—O9'—C31'—C32'i | 126 (11) |
C27—C22—C23—C24 | −0.1 (4) | C30'—O9'—C31'—C32'i | 137 (10) |
C21—C22—C23—C24 | 179.3 (3) | C31'i—O9'—C31'—C32'i | 79 (11) |
C22—C23—C24—C25 | −0.3 (4) | C30'i—O9'—C31'—C31'i | 87 (7) |
C23—C24—C25—C26 | 0.9 (5) | O9'i—O9'—C31'—C31'i | 47 (3) |
C24—C25—C26—C27 | −1.1 (5) | C30'—O9'—C31'—C31'i | 58 (4) |
C23—C22—C27—C26 | 0.0 (4) | C30'i—O9'—C31'—C32' | 98 (7) |
C21—C22—C27—C26 | −179.5 (2) | O9'i—O9'—C31'—C32' | 57 (2) |
C23—C22—C27—C28 | −179.4 (2) | C30'—O9'—C31'—C32' | 68 (3) |
C21—C22—C27—C28 | 1.1 (3) | C31'i—O9'—C31'—C32' | 10 (2) |
C25—C26—C27—C22 | 0.6 (4) | C30'i—O9'—C31'—O9'i | 41 (5) |
C25—C26—C27—C28 | 179.8 (3) | C30'—O9'—C31'—O9'i | 11 (2) |
C21—N2—C28—O7 | −177.4 (3) | C31'i—O9'—C31'—O9'i | −47 (3) |
C20—N2—C28—O7 | 5.3 (4) | C32'i—C31'—C32'—C31'i | −174 (12) |
C21—N2—C28—C27 | 1.2 (3) | O9'—C31'—C32'—C31'i | −20 (5) |
C20—N2—C28—C27 | −176.1 (2) | O9'i—C31'—C32'—C31'i | 19 (5) |
C22—C27—C28—O7 | 177.0 (3) | C31'i—C31'—C32'—C32'i | 174 (12) |
C26—C27—C28—O7 | −2.2 (5) | O9'—C31'—C32'—C32'i | 154 (7) |
C22—C27—C28—N2 | −1.4 (3) | O9'i—C31'—C32'—C32'i | −166 (7) |
Symmetry code: (i) −x+1, y, −z+1/2. |