Supporting information
Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536806020654/cv2058sup1.cif | |
Structure factor file (CIF format) https://doi.org/10.1107/S1600536806020654/cv2058Isup2.hkl |
CCDC reference: 613644
Key indicators
- Single-crystal X-ray study
- T = 200 K
- Mean (C-C) = 0.006 Å
- R factor = 0.087
- wR factor = 0.182
- Data-to-parameter ratio = 15.1
checkCIF/PLATON results
No syntax errors found
Alert level B PLAT220_ALERT_2_B Large Non-Solvent C Ueq(max)/Ueq(min) ... 3.98 Ratio PLAT222_ALERT_3_B Large Non-Solvent H Ueq(max)/Ueq(min) ... 4.71 Ratio
Alert level C ABSTM02_ALERT_3_C The ratio of expected to reported Tmax/Tmin(RR') is < 0.90 Tmin and Tmax reported: 0.854 0.999 Tmin(prime) and Tmax expected: 0.973 0.997 RR(prime) = 0.877 Please check that your absorption correction is appropriate. PLAT061_ALERT_3_C Tmax/Tmin Range Test RR' too Large ............. 0.88 PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C25 PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C29 PLAT340_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang ... 6 PLAT380_ALERT_4_C Check Incorrectly? Oriented X(sp2)-Methyl Moiety C14 PLAT380_ALERT_4_C Check Incorrectly? Oriented X(sp2)-Methyl Moiety C15
0 ALERT level A = In general: serious problem 2 ALERT level B = Potentially serious problem 7 ALERT level C = Check and explain 0 ALERT level G = General alerts; check 0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 3 ALERT type 2 Indicator that the structure model may be wrong or deficient 4 ALERT type 3 Indicator that the structure quality may be low 2 ALERT type 4 Improvement, methodology, query or suggestion
Data collection: SMART (Siemens, 1995); cell refinement: SMART; data reduction: SAINT (Siemens, 1995); program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: Mercury (Macrae et al., 2006); software used to prepare material for publication: WinGX (Farrugia, 1999).
C64H86N4 | F(000) = 996 |
Mr = 911.37 | Dx = 1.103 Mg m−3 |
Monoclinic, P21/c | Mo Kα radiation, λ = 0.71073 Å |
a = 20.9467 (6) Å | Cell parameters from 3022 reflections |
b = 16.3352 (5) Å | θ = 2.7–25.1° |
c = 8.0916 (1) Å | µ = 0.06 mm−1 |
β = 97.486 (1)° | T = 200 K |
V = 2745.09 (12) Å3 | Needle, red |
Z = 2 | 0.44 × 0.07 × 0.04 mm |
Siemens SMART CCD diffractometer | 4786 independent reflections |
Radiation source: fine-focus sealed tube | 2464 reflections with I > 2σ(I) |
Graphite monochromator | Rint = 0.042 |
ω scans | θmax = 25.1°, θmin = 2.7° |
Absorption correction: multi-scan (SADABS; Sheldrick, 1996) | h = −24→24 |
Tmin = 0.854, Tmax = 0.999 | k = 0→19 |
12519 measured reflections | l = 0→9 |
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)] = 0.088 | H-atom parameters constrained |
wR(F2) = 0.182 | w = 1/[σ2(Fo2) + (0.0276P)2 + 3.8177P] where P = (Fo2 + 2Fc2)/3 |
S = 1.06 | (Δ/σ)max < 0.001 |
4786 reflections | Δρmax = 0.22 e Å−3 |
316 parameters | Δρmin = −0.19 e Å−3 |
0 restraints | Extinction correction: SHELXL97, Fc*=kFc[1+0.001xFc2λ3/sin(2θ)]-1/4 |
Primary atom site location: structure-invariant direct methods | Extinction coefficient: 0.0049 (7) |
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) | |
N1 | 0.06947 (15) | −0.03097 (19) | 0.6977 (4) | 0.0302 (8) | |
H1A | 0.0448 | −0.0127 | 0.6090 | 0.036* | 0.50 |
N2 | 0.08198 (14) | 0.03535 (18) | 0.3948 (4) | 0.0280 (8) | |
H2 | 0.0518 | 0.0153 | 0.4492 | 0.034* | 0.50 |
C1 | −0.01381 (18) | −0.0837 (2) | 0.8579 (5) | 0.0305 (10) | |
H1 | −0.0177 | −0.1080 | 0.9627 | 0.037* | |
C2 | 0.04974 (18) | −0.0672 (2) | 0.8334 (5) | 0.0272 (9) | |
C3 | 0.10445 (18) | −0.0883 (2) | 0.9544 (5) | 0.0295 (10) | |
C4 | 0.15792 (18) | −0.0651 (2) | 0.8881 (5) | 0.0307 (10) | |
C5 | 0.13538 (18) | −0.0284 (2) | 0.7260 (5) | 0.0273 (9) | |
C6 | 0.17286 (18) | 0.0035 (2) | 0.6078 (5) | 0.0288 (10) | |
C7 | 0.14715 (18) | 0.0353 (2) | 0.4507 (5) | 0.0283 (9) | |
C8 | 0.17945 (18) | 0.0739 (2) | 0.3249 (5) | 0.0313 (10) | |
C9 | 0.13353 (18) | 0.0964 (2) | 0.1976 (5) | 0.0297 (10) | |
C10 | 0.07199 (18) | 0.0716 (2) | 0.2405 (5) | 0.0288 (9) | |
C11 | 0.0997 (2) | −0.1301 (3) | 1.1179 (5) | 0.0366 (11) | |
H11A | 0.0630 | −0.1067 | 1.1677 | 0.044* | |
H11B | 0.1394 | −0.1190 | 1.1952 | 0.044* | |
C12 | 0.0905 (2) | −0.2233 (3) | 1.1000 (5) | 0.0424 (12) | |
H12A | 0.0784 | −0.2455 | 1.2053 | 0.051* | |
H12B | 0.0546 | −0.2344 | 1.0107 | 0.051* | |
C13 | 0.1505 (2) | −0.2678 (3) | 1.0590 (6) | 0.0547 (14) | |
H13A | 0.1627 | −0.2465 | 0.9543 | 0.082* | |
H13B | 0.1414 | −0.3265 | 1.0472 | 0.082* | |
H13C | 0.1859 | −0.2591 | 1.1490 | 0.082* | |
C14 | 0.22604 (18) | −0.0761 (3) | 0.9730 (5) | 0.0420 (11) | |
H14A | 0.2252 | −0.1032 | 1.0807 | 0.063* | |
H14B | 0.2467 | −0.0224 | 0.9906 | 0.063* | |
H14C | 0.2503 | −0.1097 | 0.9026 | 0.063* | |
C15 | 0.25006 (19) | 0.0927 (3) | 0.3287 (5) | 0.0452 (12) | |
H15A | 0.2572 | 0.1194 | 0.2242 | 0.068* | |
H15B | 0.2748 | 0.0417 | 0.3418 | 0.068* | |
H15C | 0.2640 | 0.1292 | 0.4226 | 0.068* | |
C16 | 0.1446 (2) | 0.1419 (3) | 0.0420 (5) | 0.0375 (11) | |
H16A | 0.1075 | 0.1323 | −0.0449 | 0.045* | |
H16B | 0.1835 | 0.1195 | 0.0006 | 0.045* | |
C17 | 0.1533 (2) | 0.2342 (3) | 0.0686 (5) | 0.0459 (12) | |
H17A | 0.1881 | 0.2437 | 0.1618 | 0.055* | |
H17B | 0.1669 | 0.2587 | −0.0330 | 0.055* | |
C18 | 0.0925 (2) | 0.2772 (3) | 0.1073 (6) | 0.0515 (13) | |
H18A | 0.0594 | 0.2741 | 0.0099 | 0.077* | |
H18B | 0.1022 | 0.3347 | 0.1344 | 0.077* | |
H18C | 0.0766 | 0.2504 | 0.2025 | 0.077* | |
C19 | 0.24448 (18) | 0.0007 (2) | 0.6444 (5) | 0.0304 (10) | |
C24 | 0.27792 (19) | −0.0633 (3) | 0.5799 (5) | 0.0355 (10) | |
H22A | 0.2545 | −0.1048 | 0.5158 | 0.043* | |
C23 | 0.3447 (2) | −0.0675 (3) | 0.6075 (5) | 0.0408 (11) | |
C22 | 0.3772 (2) | −0.0054 (3) | 0.7026 (5) | 0.0435 (12) | |
H24A | 0.4229 | −0.0072 | 0.7230 | 0.052* | |
C21 | 0.34523 (19) | 0.0594 (3) | 0.7688 (5) | 0.0371 (11) | |
C20 | 0.27867 (19) | 0.0615 (3) | 0.7372 (5) | 0.0344 (10) | |
H26A | 0.2560 | 0.1055 | 0.7798 | 0.041* | |
C29 | 0.3803 (2) | −0.1345 (3) | 0.5232 (6) | 0.0521 (13) | |
C25 | 0.3833 (2) | 0.1247 (3) | 0.8760 (6) | 0.0497 (13) | |
C31 | 0.3425 (3) | −0.2149 (3) | 0.5105 (7) | 0.0796 (19) | |
H31A | 0.3676 | −0.2573 | 0.4624 | 0.119* | |
H31B | 0.3015 | −0.2071 | 0.4391 | 0.119* | |
H31C | 0.3343 | −0.2320 | 0.6219 | 0.119* | |
C30 | 0.3869 (3) | −0.1056 (3) | 0.3452 (7) | 0.0724 (17) | |
H30A | 0.4123 | −0.0551 | 0.3502 | 0.109* | |
H30B | 0.3440 | −0.0954 | 0.2846 | 0.109* | |
H30C | 0.4085 | −0.1481 | 0.2875 | 0.109* | |
C26 | 0.3436 (3) | 0.2024 (3) | 0.8905 (7) | 0.0830 (19) | |
H26B | 0.3701 | 0.2434 | 0.9558 | 0.125* | |
H26C | 0.3060 | 0.1894 | 0.9460 | 0.125* | |
H26D | 0.3293 | 0.2241 | 0.7789 | 0.125* | |
C28 | 0.4002 (3) | 0.0901 (4) | 1.0516 (6) | 0.086 (2) | |
H28A | 0.4287 | 0.0428 | 1.0481 | 0.129* | |
H28B | 0.3607 | 0.0732 | 1.0949 | 0.129* | |
H28C | 0.4221 | 0.1323 | 1.1244 | 0.129* | |
C32 | 0.4468 (3) | −0.1506 (4) | 0.6164 (8) | 0.106 (2) | |
H32A | 0.4738 | −0.1019 | 0.6108 | 0.160* | |
H32B | 0.4664 | −0.1971 | 0.5654 | 0.160* | |
H32C | 0.4431 | −0.1632 | 0.7332 | 0.160* | |
C27 | 0.4442 (3) | 0.1481 (4) | 0.8062 (8) | 0.101 (2) | |
H27A | 0.4749 | 0.1026 | 0.8214 | 0.151* | |
H27B | 0.4632 | 0.1965 | 0.8647 | 0.151* | |
H27C | 0.4340 | 0.1603 | 0.6871 | 0.151* |
U11 | U22 | U33 | U12 | U13 | U23 | |
N1 | 0.032 (2) | 0.028 (2) | 0.0305 (19) | −0.0013 (15) | 0.0045 (16) | 0.0036 (16) |
N2 | 0.0258 (19) | 0.0276 (19) | 0.0307 (19) | −0.0022 (15) | 0.0045 (15) | −0.0009 (15) |
C1 | 0.036 (3) | 0.029 (2) | 0.027 (2) | −0.0008 (19) | 0.0060 (19) | −0.0008 (18) |
C2 | 0.033 (2) | 0.019 (2) | 0.029 (2) | 0.0016 (18) | 0.0052 (19) | 0.0009 (18) |
C3 | 0.033 (2) | 0.024 (2) | 0.031 (2) | 0.0000 (18) | 0.004 (2) | −0.0018 (19) |
C4 | 0.031 (2) | 0.029 (2) | 0.031 (2) | 0.0007 (19) | −0.0002 (19) | −0.0005 (19) |
C5 | 0.027 (2) | 0.024 (2) | 0.030 (2) | −0.0012 (18) | 0.0005 (18) | −0.0044 (18) |
C6 | 0.029 (2) | 0.024 (2) | 0.033 (2) | 0.0004 (18) | 0.0043 (19) | −0.0025 (19) |
C7 | 0.027 (2) | 0.024 (2) | 0.034 (2) | −0.0006 (18) | 0.0053 (19) | 0.0014 (19) |
C8 | 0.030 (2) | 0.030 (2) | 0.035 (2) | −0.0044 (19) | 0.011 (2) | 0.000 (2) |
C9 | 0.032 (2) | 0.031 (2) | 0.028 (2) | −0.0016 (18) | 0.009 (2) | −0.0016 (19) |
C10 | 0.034 (2) | 0.026 (2) | 0.028 (2) | 0.0017 (19) | 0.0084 (19) | 0.0026 (19) |
C11 | 0.039 (3) | 0.041 (3) | 0.029 (2) | 0.003 (2) | 0.001 (2) | 0.007 (2) |
C12 | 0.049 (3) | 0.043 (3) | 0.036 (3) | 0.003 (2) | 0.006 (2) | 0.012 (2) |
C13 | 0.071 (4) | 0.044 (3) | 0.049 (3) | 0.010 (3) | 0.007 (3) | 0.004 (2) |
C14 | 0.037 (3) | 0.049 (3) | 0.039 (3) | −0.002 (2) | 0.000 (2) | 0.009 (2) |
C15 | 0.041 (3) | 0.047 (3) | 0.051 (3) | −0.001 (2) | 0.019 (2) | 0.013 (2) |
C16 | 0.038 (3) | 0.041 (3) | 0.036 (3) | 0.000 (2) | 0.014 (2) | 0.003 (2) |
C17 | 0.050 (3) | 0.047 (3) | 0.041 (3) | −0.014 (2) | 0.005 (2) | 0.012 (2) |
C18 | 0.068 (4) | 0.037 (3) | 0.049 (3) | −0.005 (2) | 0.006 (3) | 0.009 (2) |
C19 | 0.030 (2) | 0.030 (2) | 0.031 (2) | −0.0017 (19) | 0.0048 (19) | 0.0069 (19) |
C24 | 0.035 (3) | 0.031 (3) | 0.039 (2) | 0.001 (2) | 0.002 (2) | −0.003 (2) |
C23 | 0.033 (3) | 0.048 (3) | 0.042 (3) | 0.008 (2) | 0.008 (2) | 0.009 (2) |
C22 | 0.027 (2) | 0.055 (3) | 0.048 (3) | 0.001 (2) | 0.002 (2) | 0.006 (2) |
C21 | 0.033 (3) | 0.044 (3) | 0.034 (2) | −0.004 (2) | 0.005 (2) | 0.002 (2) |
C20 | 0.033 (3) | 0.034 (3) | 0.037 (2) | −0.005 (2) | 0.010 (2) | −0.003 (2) |
C29 | 0.040 (3) | 0.050 (3) | 0.066 (3) | 0.015 (2) | 0.008 (3) | −0.003 (3) |
C25 | 0.035 (3) | 0.060 (4) | 0.053 (3) | −0.012 (2) | 0.001 (2) | −0.005 (3) |
C31 | 0.099 (5) | 0.048 (4) | 0.102 (5) | 0.015 (3) | 0.048 (4) | −0.006 (3) |
C30 | 0.081 (4) | 0.066 (4) | 0.079 (4) | 0.016 (3) | 0.044 (3) | −0.006 (3) |
C26 | 0.077 (4) | 0.066 (4) | 0.101 (5) | −0.014 (3) | −0.007 (4) | −0.036 (4) |
C28 | 0.087 (5) | 0.108 (5) | 0.055 (4) | −0.021 (4) | −0.023 (3) | −0.006 (3) |
C32 | 0.070 (4) | 0.114 (6) | 0.127 (6) | 0.055 (4) | −0.019 (4) | −0.033 (5) |
C27 | 0.068 (4) | 0.100 (5) | 0.140 (6) | −0.050 (4) | 0.037 (4) | −0.035 (5) |
N1—C2 | 1.359 (4) | C17—C18 | 1.522 (6) |
N1—C5 | 1.370 (4) | C17—H17A | 0.9900 |
N1—H1A | 0.8800 | C17—H17B | 0.9900 |
N2—C10 | 1.373 (5) | C18—H18A | 0.9800 |
N2—C7 | 1.381 (4) | C18—H18B | 0.9800 |
N2—H2 | 0.8800 | C18—H18C | 0.9800 |
C1—C10i | 1.380 (5) | C19—C20 | 1.388 (5) |
C1—C2 | 1.397 (5) | C19—C24 | 1.397 (5) |
C1—H1 | 0.9500 | C24—C23 | 1.390 (5) |
C2—C3 | 1.448 (5) | C24—H22A | 0.9500 |
C3—C4 | 1.357 (5) | C23—C22 | 1.395 (6) |
C3—C11 | 1.504 (5) | C23—C29 | 1.533 (6) |
C4—C5 | 1.463 (5) | C22—C21 | 1.396 (6) |
C4—C14 | 1.512 (5) | C22—H24A | 0.9500 |
C5—C6 | 1.414 (5) | C21—C20 | 1.385 (5) |
C6—C7 | 1.414 (5) | C21—C25 | 1.532 (6) |
C6—C19 | 1.492 (5) | C20—H26A | 0.9500 |
C7—C8 | 1.439 (5) | C29—C32 | 1.518 (6) |
C8—C9 | 1.365 (5) | C29—C31 | 1.531 (7) |
C8—C15 | 1.507 (5) | C29—C30 | 1.538 (6) |
C9—C10 | 1.436 (5) | C25—C27 | 1.510 (6) |
C9—C16 | 1.506 (5) | C25—C28 | 1.527 (6) |
C10—C1i | 1.380 (5) | C25—C26 | 1.530 (7) |
C11—C12 | 1.538 (5) | C31—H31A | 0.9800 |
C11—H11A | 0.9900 | C31—H31B | 0.9800 |
C11—H11B | 0.9900 | C31—H31C | 0.9800 |
C12—C13 | 1.525 (6) | C30—H30A | 0.9800 |
C12—H12A | 0.9900 | C30—H30B | 0.9800 |
C12—H12B | 0.9900 | C30—H30C | 0.9800 |
C13—H13A | 0.9800 | C26—H26B | 0.9800 |
C13—H13B | 0.9800 | C26—H26C | 0.9800 |
C13—H13C | 0.9800 | C26—H26D | 0.9800 |
C14—H14A | 0.9800 | C28—H28A | 0.9800 |
C14—H14B | 0.9800 | C28—H28B | 0.9800 |
C14—H14C | 0.9800 | C28—H28C | 0.9800 |
C15—H15A | 0.9800 | C32—H32A | 0.9800 |
C15—H15B | 0.9800 | C32—H32B | 0.9800 |
C15—H15C | 0.9800 | C32—H32C | 0.9800 |
C16—C17 | 1.530 (6) | C27—H27A | 0.9800 |
C16—H16A | 0.9900 | C27—H27B | 0.9800 |
C16—H16B | 0.9900 | C27—H27C | 0.9800 |
C2—N1—C5 | 106.5 (3) | C18—C17—H17B | 108.9 |
C2—N1—H1A | 126.7 | C16—C17—H17B | 108.9 |
C5—N1—H1A | 126.7 | H17A—C17—H17B | 107.7 |
C10—N2—C7 | 109.0 (3) | C17—C18—H18A | 109.5 |
C10—N2—H2 | 125.5 | C17—C18—H18B | 109.5 |
C7—N2—H2 | 125.5 | H18A—C18—H18B | 109.5 |
C10i—C1—C2 | 132.6 (4) | C17—C18—H18C | 109.5 |
C10i—C1—H1 | 113.7 | H18A—C18—H18C | 109.5 |
C2—C1—H1 | 113.7 | H18B—C18—H18C | 109.5 |
N1—C2—C1 | 126.4 (4) | C20—C19—C24 | 119.3 (4) |
N1—C2—C3 | 110.7 (3) | C20—C19—C6 | 121.3 (4) |
C1—C2—C3 | 122.9 (3) | C24—C19—C6 | 119.3 (4) |
C4—C3—C2 | 106.7 (3) | C23—C24—C19 | 121.3 (4) |
C4—C3—C11 | 128.8 (4) | C23—C24—H22A | 119.3 |
C2—C3—C11 | 124.5 (3) | C19—C24—H22A | 119.3 |
C3—C4—C5 | 106.4 (3) | C24—C23—C22 | 117.5 (4) |
C3—C4—C14 | 124.5 (4) | C24—C23—C29 | 120.1 (4) |
C5—C4—C14 | 129.1 (3) | C22—C23—C29 | 122.3 (4) |
N1—C5—C6 | 122.3 (3) | C21—C22—C23 | 122.6 (4) |
N1—C5—C4 | 109.7 (3) | C21—C22—H24A | 118.7 |
C6—C5—C4 | 127.9 (3) | C23—C22—H24A | 118.7 |
C7—C6—C5 | 124.3 (3) | C20—C21—C22 | 118.0 (4) |
C7—C6—C19 | 116.5 (3) | C20—C21—C25 | 121.7 (4) |
C5—C6—C19 | 119.1 (3) | C22—C21—C25 | 120.3 (4) |
N2—C7—C6 | 122.6 (3) | C21—C20—C19 | 121.2 (4) |
N2—C7—C8 | 107.7 (3) | C21—C20—H26A | 119.4 |
C6—C7—C8 | 129.6 (4) | C19—C20—H26A | 119.4 |
C9—C8—C7 | 107.5 (3) | C32—C29—C31 | 108.5 (5) |
C9—C8—C15 | 123.7 (4) | C32—C29—C23 | 111.8 (4) |
C7—C8—C15 | 128.7 (4) | C31—C29—C23 | 111.4 (4) |
C8—C9—C10 | 108.0 (3) | C32—C29—C30 | 109.3 (4) |
C8—C9—C16 | 126.4 (4) | C31—C29—C30 | 108.0 (4) |
C10—C9—C16 | 125.6 (4) | C23—C29—C30 | 107.8 (4) |
N2—C10—C1i | 127.2 (3) | C27—C25—C28 | 109.7 (4) |
N2—C10—C9 | 107.8 (3) | C27—C25—C26 | 108.2 (5) |
C1i—C10—C9 | 125.0 (3) | C28—C25—C26 | 107.3 (4) |
C3—C11—C12 | 112.8 (3) | C27—C25—C21 | 111.6 (4) |
C3—C11—H11A | 109.0 | C28—C25—C21 | 108.1 (4) |
C12—C11—H11A | 109.0 | C26—C25—C21 | 111.9 (4) |
C3—C11—H11B | 109.0 | C29—C31—H31A | 109.5 |
C12—C11—H11B | 109.0 | C29—C31—H31B | 109.5 |
H11A—C11—H11B | 107.8 | H31A—C31—H31B | 109.5 |
C13—C12—C11 | 113.3 (4) | C29—C31—H31C | 109.5 |
C13—C12—H12A | 108.9 | H31A—C31—H31C | 109.5 |
C11—C12—H12A | 108.9 | H31B—C31—H31C | 109.5 |
C13—C12—H12B | 108.9 | C29—C30—H30A | 109.5 |
C11—C12—H12B | 108.9 | C29—C30—H30B | 109.5 |
H12A—C12—H12B | 107.7 | H30A—C30—H30B | 109.5 |
C12—C13—H13A | 109.5 | C29—C30—H30C | 109.5 |
C12—C13—H13B | 109.5 | H30A—C30—H30C | 109.5 |
H13A—C13—H13B | 109.5 | H30B—C30—H30C | 109.5 |
C12—C13—H13C | 109.5 | C25—C26—H26B | 109.5 |
H13A—C13—H13C | 109.5 | C25—C26—H26C | 109.5 |
H13B—C13—H13C | 109.5 | H26B—C26—H26C | 109.5 |
C4—C14—H14A | 109.5 | C25—C26—H26D | 109.5 |
C4—C14—H14B | 109.5 | H26B—C26—H26D | 109.5 |
H14A—C14—H14B | 109.5 | H26C—C26—H26D | 109.5 |
C4—C14—H14C | 109.5 | C25—C28—H28A | 109.5 |
H14A—C14—H14C | 109.5 | C25—C28—H28B | 109.5 |
H14B—C14—H14C | 109.5 | H28A—C28—H28B | 109.5 |
C8—C15—H15A | 109.5 | C25—C28—H28C | 109.5 |
C8—C15—H15B | 109.5 | H28A—C28—H28C | 109.5 |
H15A—C15—H15B | 109.5 | H28B—C28—H28C | 109.5 |
C8—C15—H15C | 109.5 | C29—C32—H32A | 109.5 |
H15A—C15—H15C | 109.5 | C29—C32—H32B | 109.5 |
H15B—C15—H15C | 109.5 | H32A—C32—H32B | 109.5 |
C9—C16—C17 | 113.4 (3) | C29—C32—H32C | 109.5 |
C9—C16—H16A | 108.9 | H32A—C32—H32C | 109.5 |
C17—C16—H16A | 108.9 | H32B—C32—H32C | 109.5 |
C9—C16—H16B | 108.9 | C25—C27—H27A | 109.5 |
C17—C16—H16B | 108.9 | C25—C27—H27B | 109.5 |
H16A—C16—H16B | 107.7 | H27A—C27—H27B | 109.5 |
C18—C17—C16 | 113.4 (4) | C25—C27—H27C | 109.5 |
C18—C17—H17A | 108.9 | H27A—C27—H27C | 109.5 |
C16—C17—H17A | 108.9 | H27B—C27—H27C | 109.5 |
Symmetry code: (i) −x, −y, −z+1. |
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