Supporting information
Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536806008312/tk2008sup1.cif | |
Structure factor file (CIF format) https://doi.org/10.1107/S1600536806008312/tk2008Isup2.hkl |
CCDC reference: 605195
Data collection: APEX2 (Bruker, 2006); cell refinement: APEX2; data reduction: APEX2; program(s) used to solve structure: SHELXTL (Bruker, 2000); program(s) used to refine structure: SHELXTL; molecular graphics: SHELXTL; software used to prepare material for publication: SHELXTL.
C70F30·0.5C6H6 | Z = 2 |
Mr = 1449.75 | F(000) = 1422 |
Triclinic, P1 | Dx = 1.938 Mg m−3 |
Hall symbol: -P 1 | Mo Kα radiation, λ = 0.71073 Å |
a = 11.0290 (15) Å | Cell parameters from 999 reflections |
b = 13.7614 (18) Å | θ = 1.7–26.4° |
c = 16.443 (2) Å | µ = 0.19 mm−1 |
α = 87.785 (6)° | T = 100 K |
β = 85.082 (7)° | Plate, orange |
γ = 88.850 (6)° | 0.37 × 0.22 × 0.04 mm |
V = 2484.2 (6) Å3 |
Bruker Kappa-APEXII diffractometer | 21894 independent reflections |
Radiation source: fine-focus sealed tube | 16852 reflections with I > 2σ(I) |
Graphite monochromator | Rint = 0.031 |
φ and ω scans | θmax = 35.2°, θmin = 2.6° |
Absorption correction: multi-scan (SADABS; Bruker, 2000) | h = −16→17 |
Tmin = 0.933, Tmax = 0.992 | k = −22→22 |
53487 measured reflections | l = −26→26 |
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) = 0.130 | H-atom parameters constrained |
S = 1.03 | w = 1/[σ2(Fo2) + (0.0675P)2 + 1.8907P] where P = (Fo2 + 2Fc2)/3 |
21894 reflections | (Δ/σ)max = 0.001 |
928 parameters | Δρmax = 0.65 e Å−3 |
0 restraints | Δρmin = −0.32 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 | ||
C1 | −0.37935 (9) | 0.59961 (7) | 0.17046 (6) | 0.01155 (16) | |
C2 | −0.25280 (10) | 0.63293 (7) | 0.13704 (6) | 0.01189 (16) | |
C3 | −0.16664 (9) | 0.60495 (7) | 0.19425 (6) | 0.01146 (16) | |
C4 | −0.23584 (10) | 0.56775 (7) | 0.26886 (6) | 0.01167 (16) | |
C5 | −0.35720 (10) | 0.57099 (7) | 0.26016 (6) | 0.01166 (16) | |
C6 | −0.45278 (9) | 0.58111 (7) | 0.33162 (6) | 0.01177 (16) | |
C7 | −0.53592 (9) | 0.66916 (7) | 0.31468 (6) | 0.01159 (16) | |
C8 | −0.54709 (9) | 0.71077 (7) | 0.23811 (6) | 0.01099 (16) | |
C9 | −0.46558 (9) | 0.68590 (7) | 0.16658 (6) | 0.01104 (16) | |
C10 | −0.45084 (9) | 0.76343 (7) | 0.11360 (6) | 0.01125 (16) | |
C11 | −0.33627 (10) | 0.77903 (7) | 0.05600 (6) | 0.01195 (16) | |
C12 | −0.23377 (10) | 0.71271 (7) | 0.08599 (6) | 0.01180 (16) | |
C13 | −0.12588 (9) | 0.76816 (7) | 0.09083 (6) | 0.01173 (16) | |
C14 | −0.03853 (9) | 0.73718 (7) | 0.14376 (6) | 0.01169 (16) | |
C15 | −0.05766 (9) | 0.65188 (7) | 0.19456 (6) | 0.01175 (16) | |
C16 | 0.01307 (9) | 0.65811 (7) | 0.27068 (6) | 0.01197 (16) | |
C17 | −0.07164 (9) | 0.63577 (7) | 0.34633 (6) | 0.01188 (16) | |
C18 | −0.17867 (10) | 0.56378 (7) | 0.34893 (6) | 0.01200 (17) | |
C19 | −0.26885 (10) | 0.60816 (7) | 0.41373 (6) | 0.01201 (17) | |
C20 | −0.39191 (10) | 0.61612 (7) | 0.40590 (6) | 0.01245 (17) | |
C21 | −0.45845 (10) | 0.69782 (8) | 0.43913 (6) | 0.01276 (17) | |
C22 | −0.54709 (9) | 0.72991 (7) | 0.38307 (6) | 0.01215 (17) | |
C23 | −0.57581 (9) | 0.82874 (7) | 0.37248 (6) | 0.01232 (17) | |
C24 | −0.59779 (9) | 0.86891 (7) | 0.29367 (6) | 0.01182 (16) | |
C25 | −0.58405 (9) | 0.81042 (7) | 0.22768 (6) | 0.01134 (16) | |
C26 | −0.53951 (9) | 0.84636 (7) | 0.14137 (6) | 0.01153 (16) | |
C27 | −0.47101 (9) | 0.93913 (7) | 0.14787 (6) | 0.01162 (16) | |
C28 | −0.34858 (9) | 0.95195 (7) | 0.10717 (6) | 0.01140 (16) | |
C29 | −0.28339 (9) | 0.87916 (7) | 0.07012 (6) | 0.01160 (16) | |
C30 | −0.15271 (9) | 0.86991 (8) | 0.07979 (6) | 0.01199 (16) | |
C31 | −0.09240 (9) | 0.93808 (7) | 0.11965 (6) | 0.01186 (16) | |
C32 | −0.00657 (9) | 0.90656 (7) | 0.17588 (6) | 0.01159 (16) | |
C33 | 0.02234 (9) | 0.80762 (7) | 0.18706 (6) | 0.01176 (16) | |
C34 | 0.04335 (9) | 0.76720 (7) | 0.26683 (6) | 0.01169 (16) | |
C35 | 0.03090 (9) | 0.82507 (7) | 0.33267 (6) | 0.01174 (16) | |
C36 | −0.01767 (10) | 0.78798 (7) | 0.41823 (6) | 0.01190 (16) | |
C37 | −0.08770 (10) | 0.69523 (7) | 0.41032 (6) | 0.01208 (17) | |
C38 | −0.20849 (10) | 0.68035 (7) | 0.45425 (6) | 0.01226 (17) | |
C39 | −0.27264 (10) | 0.75691 (8) | 0.49079 (6) | 0.01299 (17) | |
C40 | −0.40061 (10) | 0.76658 (8) | 0.48235 (6) | 0.01308 (17) | |
C41 | −0.42906 (10) | 0.86946 (8) | 0.46999 (6) | 0.01348 (17) | |
C42 | −0.51402 (10) | 0.89949 (8) | 0.41606 (6) | 0.01294 (17) | |
C43 | −0.49519 (10) | 0.98538 (7) | 0.36443 (6) | 0.01279 (17) | |
C44 | −0.56758 (10) | 0.97816 (7) | 0.28897 (7) | 0.01260 (17) | |
C45 | −0.48200 (9) | 0.99778 (7) | 0.21335 (6) | 0.01186 (16) | |
C46 | −0.36756 (10) | 1.05251 (7) | 0.21476 (6) | 0.01242 (17) | |
C47 | −0.28915 (9) | 1.02580 (7) | 0.15075 (6) | 0.01187 (16) | |
C48 | −0.15237 (9) | 1.03438 (7) | 0.14659 (6) | 0.01207 (17) | |
C49 | −0.11394 (10) | 1.03941 (7) | 0.23386 (6) | 0.01230 (17) | |
C50 | −0.01981 (9) | 0.96754 (7) | 0.24523 (6) | 0.01181 (16) | |
C51 | −0.00361 (9) | 0.92616 (7) | 0.32231 (6) | 0.01190 (16) | |
C52 | −0.08620 (10) | 0.95348 (7) | 0.39040 (6) | 0.01210 (17) | |
C53 | −0.10603 (10) | 0.87079 (7) | 0.44499 (6) | 0.01232 (17) | |
C54 | −0.22016 (10) | 0.85478 (8) | 0.48350 (6) | 0.01315 (17) | |
C55 | −0.31861 (10) | 0.92277 (8) | 0.47107 (6) | 0.01329 (17) | |
C56 | −0.29939 (10) | 1.00427 (7) | 0.41848 (6) | 0.01332 (17) | |
C57 | −0.38981 (10) | 1.03691 (7) | 0.36557 (6) | 0.01268 (17) | |
C58 | −0.32749 (10) | 1.09422 (7) | 0.29160 (7) | 0.01303 (17) | |
C59 | −0.19298 (10) | 1.06502 (7) | 0.29863 (6) | 0.01229 (17) | |
C60 | −0.18063 (10) | 1.02028 (7) | 0.37771 (6) | 0.01273 (17) | |
C61 | −0.10302 (10) | 1.11879 (8) | 0.09020 (7) | 0.01586 (19) | |
C62 | −0.34790 (11) | 1.20441 (8) | 0.29991 (8) | 0.01686 (19) | |
C63 | −0.68301 (10) | 1.04252 (8) | 0.29641 (7) | 0.01584 (19) | |
C64 | −0.64445 (10) | 0.85672 (8) | 0.08597 (7) | 0.01447 (18) | |
C65 | −0.35142 (11) | 0.76754 (9) | −0.03588 (7) | 0.01637 (19) | |
C66 | −0.42289 (11) | 0.51413 (8) | 0.12261 (7) | 0.01542 (18) | |
C67 | −0.52964 (10) | 0.49004 (8) | 0.35372 (7) | 0.01502 (18) | |
C68 | −0.13990 (11) | 0.45902 (8) | 0.37427 (7) | 0.01570 (19) | |
C69 | 0.12937 (10) | 0.59446 (8) | 0.26268 (7) | 0.01542 (18) | |
C70 | 0.08205 (10) | 0.77587 (8) | 0.47751 (7) | 0.01470 (18) | |
F611 | −0.12264 (7) | 1.10384 (6) | 0.01238 (4) | 0.02016 (14) | |
F612 | 0.01756 (7) | 1.12692 (6) | 0.09327 (5) | 0.02278 (16) | |
F613 | −0.15465 (8) | 1.20375 (5) | 0.10997 (5) | 0.02631 (17) | |
F621 | −0.32929 (9) | 1.22942 (6) | 0.37577 (5) | 0.02787 (18) | |
F622 | −0.27183 (8) | 1.25535 (5) | 0.24865 (6) | 0.02785 (18) | |
F623 | −0.46049 (8) | 1.23170 (6) | 0.28581 (7) | 0.03029 (19) | |
F631 | −0.75864 (7) | 1.01145 (6) | 0.36027 (5) | 0.02003 (14) | |
F632 | −0.74462 (7) | 1.04103 (7) | 0.23047 (5) | 0.02538 (16) | |
F633 | −0.65804 (8) | 1.13469 (6) | 0.30930 (7) | 0.0302 (2) | |
F641 | −0.70267 (7) | 0.77295 (5) | 0.08249 (5) | 0.02229 (15) | |
F642 | −0.60373 (7) | 0.88337 (6) | 0.00971 (5) | 0.02454 (16) | |
F643 | −0.72605 (7) | 0.92352 (6) | 0.11250 (5) | 0.02520 (16) | |
F651 | −0.39245 (9) | 0.84917 (6) | −0.07067 (5) | 0.02772 (18) | |
F652 | −0.24432 (8) | 0.74730 (8) | −0.07631 (5) | 0.0320 (2) | |
F653 | −0.42748 (10) | 0.69747 (7) | −0.04828 (5) | 0.0348 (2) | |
F661 | −0.39716 (8) | 0.52995 (6) | 0.04246 (5) | 0.02230 (15) | |
F662 | −0.54293 (7) | 0.50237 (6) | 0.13540 (5) | 0.02257 (15) | |
F663 | −0.36784 (9) | 0.43096 (5) | 0.14344 (6) | 0.02732 (18) | |
F671 | −0.46090 (7) | 0.41377 (5) | 0.37325 (6) | 0.02387 (16) | |
F672 | −0.59335 (7) | 0.46582 (5) | 0.29251 (5) | 0.02159 (15) | |
F673 | −0.60951 (7) | 0.50628 (5) | 0.41828 (5) | 0.02113 (15) | |
F681 | −0.05688 (8) | 0.46048 (5) | 0.42875 (6) | 0.02636 (18) | |
F682 | −0.23494 (7) | 0.40963 (5) | 0.40853 (5) | 0.02280 (16) | |
F683 | −0.09300 (8) | 0.40978 (5) | 0.31060 (5) | 0.02614 (17) | |
F691 | 0.20238 (7) | 0.62308 (6) | 0.19699 (5) | 0.02132 (14) | |
F692 | 0.10452 (7) | 0.50128 (5) | 0.25428 (6) | 0.02419 (16) | |
F693 | 0.19252 (7) | 0.60050 (6) | 0.32783 (5) | 0.02460 (16) | |
F701 | 0.14372 (7) | 0.85903 (5) | 0.47943 (5) | 0.02146 (15) | |
F702 | 0.03390 (7) | 0.75472 (6) | 0.55350 (4) | 0.02171 (15) | |
F703 | 0.16242 (7) | 0.70626 (6) | 0.45619 (5) | 0.02028 (14) | |
C71 | −0.00769 (19) | 1.58104 (13) | −0.05190 (13) | 0.0425 (4) | |
H1 | −0.0132 | 1.6366 | −0.0877 | 0.051* | |
C72 | −0.10159 (19) | 1.51457 (13) | −0.04294 (12) | 0.0413 (4) | |
H2 | −0.1715 | 1.5247 | −0.0724 | 0.050* | |
C73 | −0.09317 (19) | 1.43364 (13) | 0.00893 (13) | 0.0426 (4) | |
H3 | −0.1572 | 1.3881 | 0.0149 | 0.051* |
U11 | U22 | U33 | U12 | U13 | U23 | |
C1 | 0.0118 (4) | 0.0111 (4) | 0.0123 (4) | −0.0010 (3) | −0.0033 (3) | −0.0023 (3) |
C2 | 0.0124 (4) | 0.0120 (4) | 0.0116 (4) | 0.0002 (3) | −0.0016 (3) | −0.0038 (3) |
C3 | 0.0114 (4) | 0.0107 (4) | 0.0125 (4) | 0.0009 (3) | −0.0020 (3) | −0.0026 (3) |
C4 | 0.0129 (4) | 0.0092 (4) | 0.0132 (4) | 0.0002 (3) | −0.0030 (3) | −0.0008 (3) |
C5 | 0.0135 (4) | 0.0097 (4) | 0.0121 (4) | −0.0012 (3) | −0.0028 (3) | −0.0010 (3) |
C6 | 0.0120 (4) | 0.0105 (4) | 0.0130 (4) | −0.0022 (3) | −0.0022 (3) | 0.0010 (3) |
C7 | 0.0104 (4) | 0.0118 (4) | 0.0126 (4) | −0.0019 (3) | −0.0010 (3) | 0.0002 (3) |
C8 | 0.0091 (4) | 0.0116 (4) | 0.0124 (4) | −0.0017 (3) | −0.0017 (3) | 0.0000 (3) |
C9 | 0.0107 (4) | 0.0115 (4) | 0.0115 (4) | −0.0012 (3) | −0.0029 (3) | −0.0013 (3) |
C10 | 0.0109 (4) | 0.0129 (4) | 0.0103 (4) | −0.0002 (3) | −0.0024 (3) | −0.0009 (3) |
C11 | 0.0129 (4) | 0.0143 (4) | 0.0089 (4) | −0.0010 (3) | −0.0020 (3) | −0.0008 (3) |
C12 | 0.0125 (4) | 0.0140 (4) | 0.0091 (4) | 0.0000 (3) | −0.0010 (3) | −0.0032 (3) |
C13 | 0.0112 (4) | 0.0151 (4) | 0.0089 (4) | −0.0004 (3) | 0.0003 (3) | −0.0021 (3) |
C14 | 0.0100 (4) | 0.0141 (4) | 0.0108 (4) | 0.0006 (3) | 0.0010 (3) | −0.0023 (3) |
C15 | 0.0108 (4) | 0.0119 (4) | 0.0127 (4) | 0.0013 (3) | −0.0012 (3) | −0.0032 (3) |
C16 | 0.0104 (4) | 0.0122 (4) | 0.0136 (4) | 0.0006 (3) | −0.0023 (3) | −0.0018 (3) |
C17 | 0.0117 (4) | 0.0107 (4) | 0.0135 (4) | −0.0001 (3) | −0.0033 (3) | 0.0006 (3) |
C18 | 0.0126 (4) | 0.0100 (4) | 0.0138 (4) | −0.0008 (3) | −0.0038 (3) | 0.0000 (3) |
C19 | 0.0141 (4) | 0.0115 (4) | 0.0105 (4) | −0.0019 (3) | −0.0025 (3) | 0.0017 (3) |
C20 | 0.0147 (4) | 0.0117 (4) | 0.0108 (4) | −0.0025 (3) | −0.0009 (3) | 0.0020 (3) |
C21 | 0.0138 (4) | 0.0140 (4) | 0.0101 (4) | −0.0022 (3) | 0.0012 (3) | 0.0019 (3) |
C22 | 0.0112 (4) | 0.0134 (4) | 0.0114 (4) | −0.0021 (3) | 0.0011 (3) | 0.0006 (3) |
C23 | 0.0101 (4) | 0.0138 (4) | 0.0126 (4) | −0.0006 (3) | 0.0018 (3) | −0.0005 (3) |
C24 | 0.0092 (4) | 0.0124 (4) | 0.0135 (4) | −0.0004 (3) | 0.0003 (3) | 0.0000 (3) |
C25 | 0.0090 (4) | 0.0123 (4) | 0.0126 (4) | −0.0008 (3) | −0.0010 (3) | 0.0008 (3) |
C26 | 0.0103 (4) | 0.0124 (4) | 0.0121 (4) | −0.0008 (3) | −0.0025 (3) | 0.0011 (3) |
C27 | 0.0106 (4) | 0.0115 (4) | 0.0128 (4) | −0.0004 (3) | −0.0024 (3) | 0.0017 (3) |
C28 | 0.0113 (4) | 0.0126 (4) | 0.0102 (4) | −0.0013 (3) | −0.0018 (3) | 0.0022 (3) |
C29 | 0.0125 (4) | 0.0139 (4) | 0.0084 (4) | −0.0018 (3) | −0.0011 (3) | 0.0013 (3) |
C30 | 0.0113 (4) | 0.0150 (4) | 0.0095 (4) | −0.0013 (3) | 0.0000 (3) | 0.0005 (3) |
C31 | 0.0108 (4) | 0.0138 (4) | 0.0106 (4) | −0.0012 (3) | 0.0012 (3) | 0.0008 (3) |
C32 | 0.0088 (4) | 0.0138 (4) | 0.0119 (4) | −0.0019 (3) | 0.0006 (3) | 0.0001 (3) |
C33 | 0.0090 (4) | 0.0142 (4) | 0.0121 (4) | −0.0005 (3) | 0.0000 (3) | −0.0013 (3) |
C34 | 0.0097 (4) | 0.0126 (4) | 0.0129 (4) | −0.0005 (3) | −0.0018 (3) | −0.0012 (3) |
C35 | 0.0098 (4) | 0.0129 (4) | 0.0128 (4) | −0.0012 (3) | −0.0027 (3) | −0.0005 (3) |
C36 | 0.0126 (4) | 0.0123 (4) | 0.0113 (4) | −0.0015 (3) | −0.0036 (3) | −0.0007 (3) |
C37 | 0.0120 (4) | 0.0127 (4) | 0.0121 (4) | −0.0004 (3) | −0.0042 (3) | 0.0008 (3) |
C38 | 0.0136 (4) | 0.0135 (4) | 0.0098 (4) | −0.0013 (3) | −0.0028 (3) | 0.0018 (3) |
C39 | 0.0155 (4) | 0.0149 (4) | 0.0086 (4) | −0.0016 (3) | −0.0015 (3) | 0.0001 (3) |
C40 | 0.0154 (4) | 0.0149 (4) | 0.0086 (4) | −0.0014 (3) | 0.0008 (3) | −0.0003 (3) |
C41 | 0.0138 (4) | 0.0160 (4) | 0.0103 (4) | −0.0004 (3) | 0.0018 (3) | −0.0016 (3) |
C42 | 0.0122 (4) | 0.0143 (4) | 0.0118 (4) | −0.0002 (3) | 0.0024 (3) | −0.0023 (3) |
C43 | 0.0133 (4) | 0.0120 (4) | 0.0129 (4) | 0.0006 (3) | 0.0010 (3) | −0.0034 (3) |
C44 | 0.0108 (4) | 0.0117 (4) | 0.0151 (4) | 0.0009 (3) | −0.0001 (3) | −0.0012 (3) |
C45 | 0.0116 (4) | 0.0108 (4) | 0.0131 (4) | 0.0001 (3) | −0.0010 (3) | 0.0009 (3) |
C46 | 0.0119 (4) | 0.0109 (4) | 0.0144 (4) | −0.0008 (3) | −0.0012 (3) | 0.0009 (3) |
C47 | 0.0120 (4) | 0.0113 (4) | 0.0122 (4) | −0.0008 (3) | −0.0014 (3) | 0.0017 (3) |
C48 | 0.0116 (4) | 0.0120 (4) | 0.0126 (4) | −0.0023 (3) | −0.0010 (3) | 0.0017 (3) |
C49 | 0.0122 (4) | 0.0111 (4) | 0.0137 (4) | −0.0022 (3) | −0.0021 (3) | 0.0006 (3) |
C50 | 0.0105 (4) | 0.0119 (4) | 0.0132 (4) | −0.0025 (3) | −0.0013 (3) | 0.0001 (3) |
C51 | 0.0106 (4) | 0.0123 (4) | 0.0132 (4) | −0.0028 (3) | −0.0028 (3) | −0.0012 (3) |
C52 | 0.0133 (4) | 0.0117 (4) | 0.0117 (4) | −0.0025 (3) | −0.0023 (3) | −0.0026 (3) |
C53 | 0.0145 (4) | 0.0127 (4) | 0.0103 (4) | −0.0011 (3) | −0.0037 (3) | −0.0023 (3) |
C54 | 0.0158 (4) | 0.0153 (4) | 0.0087 (4) | −0.0014 (3) | −0.0017 (3) | −0.0026 (3) |
C55 | 0.0157 (4) | 0.0143 (4) | 0.0100 (4) | −0.0007 (3) | 0.0001 (3) | −0.0039 (3) |
C56 | 0.0149 (4) | 0.0124 (4) | 0.0128 (4) | −0.0004 (3) | −0.0002 (3) | −0.0040 (3) |
C57 | 0.0139 (4) | 0.0109 (4) | 0.0133 (4) | 0.0003 (3) | 0.0002 (3) | −0.0036 (3) |
C58 | 0.0135 (4) | 0.0097 (4) | 0.0161 (4) | −0.0004 (3) | −0.0012 (3) | −0.0016 (3) |
C59 | 0.0131 (4) | 0.0097 (4) | 0.0144 (4) | −0.0015 (3) | −0.0022 (3) | −0.0017 (3) |
C60 | 0.0145 (4) | 0.0111 (4) | 0.0132 (4) | −0.0016 (3) | −0.0027 (3) | −0.0036 (3) |
C61 | 0.0151 (5) | 0.0160 (4) | 0.0164 (4) | −0.0040 (3) | −0.0018 (4) | 0.0034 (4) |
C62 | 0.0167 (5) | 0.0113 (4) | 0.0228 (5) | 0.0006 (3) | −0.0024 (4) | −0.0020 (4) |
C63 | 0.0127 (4) | 0.0148 (4) | 0.0199 (5) | 0.0014 (3) | −0.0006 (4) | −0.0013 (4) |
C64 | 0.0127 (4) | 0.0158 (4) | 0.0153 (4) | −0.0014 (3) | −0.0042 (3) | 0.0016 (3) |
C65 | 0.0184 (5) | 0.0202 (5) | 0.0110 (4) | −0.0011 (4) | −0.0032 (3) | −0.0016 (4) |
C66 | 0.0169 (5) | 0.0135 (4) | 0.0167 (4) | −0.0015 (3) | −0.0043 (4) | −0.0038 (3) |
C67 | 0.0155 (5) | 0.0118 (4) | 0.0180 (5) | −0.0030 (3) | −0.0037 (4) | 0.0021 (3) |
C68 | 0.0167 (5) | 0.0116 (4) | 0.0196 (5) | −0.0005 (3) | −0.0068 (4) | 0.0016 (4) |
C69 | 0.0133 (4) | 0.0143 (4) | 0.0190 (5) | 0.0021 (3) | −0.0036 (4) | −0.0015 (4) |
C70 | 0.0155 (5) | 0.0157 (4) | 0.0137 (4) | −0.0018 (3) | −0.0053 (3) | −0.0005 (3) |
F611 | 0.0202 (3) | 0.0261 (3) | 0.0141 (3) | −0.0048 (3) | −0.0033 (2) | 0.0059 (3) |
F612 | 0.0159 (3) | 0.0300 (4) | 0.0224 (3) | −0.0112 (3) | −0.0029 (3) | 0.0074 (3) |
F613 | 0.0344 (4) | 0.0133 (3) | 0.0295 (4) | −0.0011 (3) | 0.0051 (3) | 0.0043 (3) |
F621 | 0.0437 (5) | 0.0151 (3) | 0.0261 (4) | 0.0005 (3) | −0.0075 (4) | −0.0085 (3) |
F622 | 0.0324 (4) | 0.0126 (3) | 0.0367 (5) | −0.0030 (3) | 0.0064 (4) | 0.0032 (3) |
F623 | 0.0204 (4) | 0.0155 (3) | 0.0568 (6) | 0.0051 (3) | −0.0124 (4) | −0.0073 (3) |
F631 | 0.0137 (3) | 0.0262 (3) | 0.0194 (3) | 0.0029 (3) | 0.0032 (2) | −0.0032 (3) |
F632 | 0.0191 (4) | 0.0366 (4) | 0.0203 (3) | 0.0117 (3) | −0.0043 (3) | −0.0006 (3) |
F633 | 0.0189 (4) | 0.0129 (3) | 0.0584 (6) | 0.0028 (3) | 0.0002 (4) | −0.0060 (3) |
F641 | 0.0214 (4) | 0.0189 (3) | 0.0286 (4) | −0.0068 (3) | −0.0135 (3) | 0.0033 (3) |
F642 | 0.0219 (4) | 0.0359 (4) | 0.0158 (3) | −0.0035 (3) | −0.0065 (3) | 0.0102 (3) |
F643 | 0.0166 (3) | 0.0275 (4) | 0.0331 (4) | 0.0083 (3) | −0.0107 (3) | −0.0075 (3) |
F651 | 0.0412 (5) | 0.0282 (4) | 0.0145 (3) | 0.0076 (3) | −0.0094 (3) | 0.0015 (3) |
F652 | 0.0260 (4) | 0.0578 (6) | 0.0115 (3) | 0.0103 (4) | 0.0009 (3) | −0.0051 (3) |
F653 | 0.0512 (6) | 0.0389 (5) | 0.0166 (3) | −0.0250 (4) | −0.0107 (4) | −0.0019 (3) |
F661 | 0.0263 (4) | 0.0273 (4) | 0.0143 (3) | −0.0071 (3) | −0.0027 (3) | −0.0074 (3) |
F662 | 0.0179 (3) | 0.0258 (4) | 0.0250 (4) | −0.0089 (3) | −0.0027 (3) | −0.0076 (3) |
F663 | 0.0377 (5) | 0.0126 (3) | 0.0343 (4) | 0.0037 (3) | −0.0164 (4) | −0.0075 (3) |
F671 | 0.0216 (4) | 0.0119 (3) | 0.0383 (4) | −0.0015 (3) | −0.0070 (3) | 0.0068 (3) |
F672 | 0.0226 (4) | 0.0207 (3) | 0.0227 (3) | −0.0100 (3) | −0.0077 (3) | 0.0010 (3) |
F673 | 0.0205 (3) | 0.0214 (3) | 0.0204 (3) | −0.0068 (3) | 0.0040 (3) | 0.0032 (3) |
F681 | 0.0287 (4) | 0.0160 (3) | 0.0375 (4) | −0.0022 (3) | −0.0227 (4) | 0.0056 (3) |
F682 | 0.0208 (4) | 0.0142 (3) | 0.0334 (4) | −0.0035 (3) | −0.0051 (3) | 0.0078 (3) |
F683 | 0.0336 (4) | 0.0142 (3) | 0.0302 (4) | 0.0060 (3) | −0.0008 (3) | −0.0029 (3) |
F691 | 0.0144 (3) | 0.0239 (3) | 0.0248 (4) | 0.0033 (3) | 0.0031 (3) | −0.0012 (3) |
F692 | 0.0215 (4) | 0.0126 (3) | 0.0386 (5) | 0.0034 (3) | −0.0031 (3) | −0.0040 (3) |
F693 | 0.0175 (3) | 0.0331 (4) | 0.0247 (4) | 0.0085 (3) | −0.0099 (3) | −0.0056 (3) |
F701 | 0.0231 (4) | 0.0195 (3) | 0.0238 (4) | −0.0070 (3) | −0.0118 (3) | −0.0009 (3) |
F702 | 0.0241 (4) | 0.0289 (4) | 0.0125 (3) | −0.0013 (3) | −0.0052 (3) | 0.0029 (3) |
F703 | 0.0177 (3) | 0.0220 (3) | 0.0221 (3) | 0.0043 (3) | −0.0080 (3) | −0.0012 (3) |
C71 | 0.0505 (11) | 0.0282 (7) | 0.0461 (10) | 0.0036 (7) | 0.0137 (8) | −0.0059 (7) |
C72 | 0.0436 (10) | 0.0365 (8) | 0.0428 (9) | 0.0055 (7) | 0.0057 (8) | −0.0143 (7) |
C73 | 0.0445 (10) | 0.0283 (7) | 0.0525 (11) | −0.0039 (7) | 0.0163 (8) | −0.0132 (7) |
C1—C9 | 1.5093 (15) | C37—C38 | 1.4741 (15) |
C1—C2 | 1.5281 (15) | C38—C39 | 1.3847 (16) |
C1—C66 | 1.5467 (15) | C39—C40 | 1.4331 (16) |
C1—C5 | 1.5502 (14) | C39—C54 | 1.4732 (15) |
C2—C12 | 1.3644 (14) | C40—C41 | 1.4543 (15) |
C2—C3 | 1.4307 (15) | C41—C42 | 1.3907 (16) |
C3—C15 | 1.3763 (14) | C41—C55 | 1.4363 (15) |
C3—C4 | 1.4685 (14) | C42—C43 | 1.4362 (14) |
C4—C5 | 1.3579 (15) | C43—C57 | 1.3755 (15) |
C4—C18 | 1.5065 (15) | C43—C44 | 1.5393 (16) |
C5—C6 | 1.5185 (15) | C44—C45 | 1.5142 (15) |
C6—C7 | 1.5362 (15) | C44—C63 | 1.5351 (16) |
C6—C20 | 1.5407 (15) | C45—C46 | 1.4850 (15) |
C6—C67 | 1.5414 (14) | C46—C47 | 1.3608 (15) |
C7—C8 | 1.3771 (14) | C46—C58 | 1.5110 (16) |
C7—C22 | 1.4223 (15) | C47—C48 | 1.5110 (15) |
C8—C25 | 1.4309 (14) | C48—C49 | 1.5351 (15) |
C8—C9 | 1.4650 (15) | C48—C61 | 1.5365 (14) |
C9—C10 | 1.3544 (14) | C49—C59 | 1.3697 (15) |
C10—C11 | 1.5264 (15) | C49—C50 | 1.4383 (15) |
C10—C26 | 1.5447 (15) | C50—C51 | 1.3934 (14) |
C11—C29 | 1.5404 (15) | C51—C52 | 1.4383 (15) |
C11—C12 | 1.5406 (15) | C52—C60 | 1.3991 (15) |
C11—C65 | 1.5485 (15) | C52—C53 | 1.4303 (14) |
C12—C13 | 1.4360 (15) | C53—C54 | 1.3775 (15) |
C13—C14 | 1.4021 (15) | C54—C55 | 1.4417 (16) |
C13—C30 | 1.4332 (15) | C55—C56 | 1.3979 (15) |
C14—C15 | 1.4228 (14) | C56—C57 | 1.4330 (16) |
C14—C33 | 1.4349 (15) | C56—C60 | 1.4363 (15) |
C15—C16 | 1.5365 (15) | C57—C58 | 1.5421 (15) |
C16—C17 | 1.5157 (15) | C58—C62 | 1.5382 (15) |
C16—C69 | 1.5378 (16) | C58—C59 | 1.5419 (15) |
C16—C34 | 1.5422 (14) | C59—C60 | 1.4331 (15) |
C17—C37 | 1.3553 (15) | C61—F613 | 1.3297 (15) |
C17—C18 | 1.5529 (14) | C61—F611 | 1.3403 (14) |
C18—C19 | 1.5303 (16) | C61—F612 | 1.3423 (14) |
C18—C68 | 1.5472 (14) | C62—F623 | 1.3268 (14) |
C19—C20 | 1.3761 (15) | C62—F622 | 1.3276 (14) |
C19—C38 | 1.4240 (15) | C62—F621 | 1.3403 (15) |
C20—C21 | 1.4306 (16) | C63—F632 | 1.3290 (14) |
C21—C40 | 1.4004 (15) | C63—F633 | 1.3320 (14) |
C21—C22 | 1.4513 (15) | C63—F631 | 1.3456 (13) |
C22—C23 | 1.3979 (15) | C64—F643 | 1.3327 (14) |
C23—C24 | 1.4270 (15) | C64—F642 | 1.3352 (13) |
C23—C42 | 1.4459 (15) | C64—F641 | 1.3364 (13) |
C24—C25 | 1.3722 (15) | C65—F653 | 1.3236 (14) |
C24—C44 | 1.5440 (14) | C65—F651 | 1.3298 (14) |
C25—C26 | 1.5284 (14) | C65—F652 | 1.3347 (15) |
C26—C27 | 1.5083 (14) | C66—F663 | 1.3317 (14) |
C26—C64 | 1.5343 (15) | C66—F661 | 1.3345 (14) |
C27—C45 | 1.3662 (15) | C66—F662 | 1.3346 (14) |
C27—C28 | 1.4655 (15) | C67—F671 | 1.3278 (13) |
C28—C29 | 1.3546 (15) | C67—F672 | 1.3322 (14) |
C28—C47 | 1.4625 (15) | C67—F673 | 1.3427 (14) |
C29—C30 | 1.4660 (15) | C68—F683 | 1.3307 (15) |
C30—C31 | 1.3781 (15) | C68—F682 | 1.3326 (13) |
C31—C32 | 1.4289 (15) | C68—F681 | 1.3357 (13) |
C31—C48 | 1.5330 (15) | C69—F692 | 1.3315 (13) |
C32—C33 | 1.4009 (15) | C69—F693 | 1.3330 (14) |
C32—C50 | 1.4374 (15) | C69—F691 | 1.3419 (14) |
C33—C34 | 1.4402 (14) | C70—F703 | 1.3285 (14) |
C34—C35 | 1.3646 (15) | C70—F702 | 1.3388 (13) |
C35—C51 | 1.4424 (15) | C70—F701 | 1.3458 (13) |
C35—C36 | 1.5339 (14) | C71—C73i | 1.376 (3) |
C36—C37 | 1.5206 (14) | C71—C72 | 1.390 (3) |
C36—C70 | 1.5334 (15) | C72—C73 | 1.383 (3) |
C36—C53 | 1.5370 (15) | C73—C71i | 1.375 (3) |
C9—C1—C2 | 108.00 (8) | C40—C39—C54 | 108.16 (9) |
C9—C1—C66 | 111.23 (8) | C21—C40—C39 | 119.66 (10) |
C2—C1—C66 | 111.73 (9) | C21—C40—C41 | 119.68 (10) |
C9—C1—C5 | 110.88 (9) | C39—C40—C41 | 107.83 (9) |
C2—C1—C5 | 101.18 (8) | C42—C41—C55 | 119.27 (9) |
C66—C1—C5 | 113.31 (8) | C42—C41—C40 | 120.24 (10) |
C12—C2—C3 | 120.56 (9) | C55—C41—C40 | 108.32 (9) |
C12—C2—C1 | 123.20 (9) | C41—C42—C43 | 120.87 (10) |
C3—C2—C1 | 109.33 (8) | C41—C42—C23 | 120.34 (10) |
C15—C3—C2 | 121.28 (9) | C43—C42—C23 | 108.77 (9) |
C15—C3—C4 | 123.22 (9) | C57—C43—C42 | 119.99 (10) |
C2—C3—C4 | 107.27 (9) | C57—C43—C44 | 124.34 (9) |
C5—C4—C3 | 110.85 (9) | C42—C43—C44 | 109.37 (9) |
C5—C4—C18 | 125.54 (10) | C45—C44—C63 | 115.49 (9) |
C3—C4—C18 | 120.05 (9) | C45—C44—C43 | 108.32 (8) |
C4—C5—C6 | 123.02 (9) | C63—C44—C43 | 111.06 (9) |
C4—C5—C1 | 109.78 (9) | C45—C44—C24 | 108.25 (8) |
C6—C5—C1 | 123.85 (9) | C63—C44—C24 | 111.85 (8) |
C5—C6—C7 | 109.18 (8) | C43—C44—C24 | 100.82 (8) |
C5—C6—C20 | 109.26 (8) | C27—C45—C46 | 108.59 (9) |
C7—C6—C20 | 100.33 (8) | C27—C45—C44 | 123.71 (9) |
C5—C6—C67 | 115.22 (9) | C46—C45—C44 | 122.81 (9) |
C7—C6—C67 | 110.21 (9) | C47—C46—C45 | 108.79 (9) |
C20—C6—C67 | 111.60 (8) | C47—C46—C58 | 123.65 (10) |
C8—C7—C22 | 118.67 (9) | C45—C46—C58 | 122.79 (9) |
C8—C7—C6 | 123.93 (9) | C46—C47—C28 | 107.71 (9) |
C22—C7—C6 | 110.15 (9) | C46—C47—C48 | 124.98 (10) |
C7—C8—C25 | 121.13 (10) | C28—C47—C48 | 122.32 (9) |
C7—C8—C9 | 122.75 (9) | C47—C48—C31 | 109.50 (8) |
C25—C8—C9 | 107.74 (8) | C47—C48—C49 | 108.66 (8) |
C10—C9—C8 | 110.76 (9) | C31—C48—C49 | 101.44 (8) |
C10—C9—C1 | 125.22 (9) | C47—C48—C61 | 113.55 (9) |
C8—C9—C1 | 120.45 (9) | C31—C48—C61 | 110.20 (9) |
C9—C10—C11 | 123.24 (9) | C49—C48—C61 | 112.79 (9) |
C9—C10—C26 | 109.65 (9) | C59—C49—C50 | 120.08 (9) |
C11—C10—C26 | 123.69 (8) | C59—C49—C48 | 122.79 (10) |
C10—C11—C29 | 109.36 (8) | C50—C49—C48 | 108.84 (9) |
C10—C11—C12 | 108.50 (8) | C51—C50—C32 | 118.76 (9) |
C29—C11—C12 | 99.66 (8) | C51—C50—C49 | 121.04 (10) |
C10—C11—C65 | 115.68 (9) | C32—C50—C49 | 109.39 (9) |
C29—C11—C65 | 110.44 (8) | C50—C51—C52 | 118.82 (10) |
C12—C11—C65 | 112.00 (9) | C50—C51—C35 | 121.13 (10) |
C2—C12—C13 | 118.82 (9) | C52—C51—C35 | 109.28 (9) |
C2—C12—C11 | 124.14 (9) | C60—C52—C53 | 120.68 (10) |
C13—C12—C11 | 109.91 (9) | C60—C52—C51 | 119.44 (9) |
C14—C13—C30 | 119.76 (9) | C53—C52—C51 | 108.95 (9) |
C14—C13—C12 | 120.26 (9) | C54—C53—C52 | 119.82 (10) |
C30—C13—C12 | 110.15 (9) | C54—C53—C36 | 123.01 (9) |
C13—C14—C15 | 120.20 (9) | C52—C53—C36 | 109.52 (9) |
C13—C14—C33 | 119.67 (9) | C53—C54—C55 | 120.24 (9) |
C15—C14—C33 | 109.17 (9) | C53—C54—C39 | 121.47 (10) |
C3—C15—C14 | 118.41 (9) | C55—C54—C39 | 107.08 (9) |
C3—C15—C16 | 123.66 (9) | C56—C55—C41 | 119.30 (10) |
C14—C15—C16 | 109.81 (9) | C56—C55—C54 | 120.15 (10) |
C17—C16—C15 | 109.24 (8) | C41—C55—C54 | 108.62 (9) |
C17—C16—C69 | 114.80 (9) | C55—C56—C57 | 120.93 (10) |
C15—C16—C69 | 110.70 (9) | C55—C56—C60 | 119.52 (10) |
C17—C16—C34 | 109.21 (8) | C57—C56—C60 | 109.18 (9) |
C15—C16—C34 | 100.65 (8) | C43—C57—C56 | 119.56 (9) |
C69—C16—C34 | 111.30 (8) | C43—C57—C58 | 124.80 (10) |
C37—C17—C16 | 123.44 (9) | C56—C57—C58 | 109.08 (9) |
C37—C17—C18 | 109.96 (9) | C46—C58—C62 | 115.81 (9) |
C16—C17—C18 | 123.79 (9) | C46—C58—C59 | 108.33 (9) |
C4—C18—C19 | 108.34 (9) | C62—C58—C59 | 111.28 (9) |
C4—C18—C68 | 112.05 (9) | C46—C58—C57 | 108.15 (8) |
C19—C18—C68 | 111.65 (9) | C62—C58—C57 | 111.17 (9) |
C4—C18—C17 | 110.69 (8) | C59—C58—C57 | 101.02 (8) |
C19—C18—C17 | 101.37 (8) | C49—C59—C60 | 119.57 (10) |
C68—C18—C17 | 112.21 (9) | C49—C59—C58 | 124.05 (10) |
C20—C19—C38 | 120.45 (10) | C60—C59—C58 | 109.13 (9) |
C20—C19—C18 | 123.07 (9) | C52—C60—C59 | 120.95 (10) |
C38—C19—C18 | 108.84 (9) | C52—C60—C56 | 119.56 (9) |
C19—C20—C21 | 119.11 (10) | C59—C60—C56 | 109.27 (9) |
C19—C20—C6 | 123.63 (10) | F613—C61—F611 | 107.64 (9) |
C21—C20—C6 | 109.68 (9) | F613—C61—F612 | 107.67 (9) |
C40—C21—C20 | 120.62 (10) | F611—C61—F612 | 107.27 (9) |
C40—C21—C22 | 119.65 (9) | F613—C61—C48 | 112.42 (10) |
C20—C21—C22 | 108.62 (9) | F611—C61—C48 | 110.76 (9) |
C23—C22—C7 | 120.07 (9) | F612—C61—C48 | 110.85 (9) |
C23—C22—C21 | 120.49 (10) | F623—C62—F622 | 107.85 (10) |
C7—C22—C21 | 108.63 (9) | F623—C62—F621 | 107.80 (10) |
C22—C23—C24 | 120.45 (10) | F622—C62—F621 | 107.39 (10) |
C22—C23—C42 | 119.57 (10) | F623—C62—C58 | 111.74 (9) |
C24—C23—C42 | 109.15 (9) | F622—C62—C58 | 111.90 (10) |
C25—C24—C23 | 119.12 (9) | F621—C62—C58 | 109.97 (9) |
C25—C24—C44 | 123.50 (9) | F632—C63—F633 | 108.15 (10) |
C23—C24—C44 | 109.48 (9) | F632—C63—F631 | 107.02 (9) |
C24—C25—C8 | 120.12 (9) | F633—C63—F631 | 106.71 (10) |
C24—C25—C26 | 123.88 (9) | F632—C63—C44 | 112.37 (10) |
C8—C25—C26 | 108.53 (9) | F633—C63—C44 | 111.95 (9) |
C27—C26—C25 | 108.09 (8) | F631—C63—C44 | 110.35 (9) |
C27—C26—C64 | 113.73 (8) | F643—C64—F642 | 107.57 (9) |
C25—C26—C64 | 111.57 (8) | F643—C64—F641 | 107.61 (9) |
C27—C26—C10 | 110.26 (8) | F642—C64—F641 | 107.37 (9) |
C25—C26—C10 | 101.68 (8) | F643—C64—C26 | 111.47 (9) |
C64—C26—C10 | 110.82 (9) | F642—C64—C26 | 111.09 (9) |
C45—C27—C28 | 107.51 (9) | F641—C64—C26 | 111.52 (8) |
C45—C27—C26 | 125.21 (9) | F653—C65—F651 | 107.71 (10) |
C28—C27—C26 | 121.29 (9) | F653—C65—F652 | 108.17 (11) |
C29—C28—C47 | 121.11 (9) | F651—C65—F652 | 106.11 (10) |
C29—C28—C27 | 123.20 (9) | F653—C65—C11 | 112.24 (9) |
C47—C28—C27 | 107.34 (9) | F651—C65—C11 | 111.80 (10) |
C28—C29—C30 | 119.15 (9) | F652—C65—C11 | 110.54 (9) |
C28—C29—C11 | 123.51 (9) | F663—C66—F661 | 107.39 (10) |
C30—C29—C11 | 110.32 (9) | F663—C66—F662 | 108.28 (9) |
C31—C30—C13 | 120.85 (10) | F661—C66—F662 | 107.31 (9) |
C31—C30—C29 | 121.70 (10) | F663—C66—C1 | 111.24 (9) |
C13—C30—C29 | 106.86 (9) | F661—C66—C1 | 110.53 (9) |
C30—C31—C32 | 119.48 (9) | F662—C66—C1 | 111.88 (9) |
C30—C31—C48 | 122.55 (9) | F671—C67—F672 | 107.93 (9) |
C32—C31—C48 | 109.66 (9) | F671—C67—F673 | 107.47 (9) |
C33—C32—C31 | 120.70 (9) | F672—C67—F673 | 107.29 (9) |
C33—C32—C50 | 119.62 (9) | F671—C67—C6 | 111.74 (9) |
C31—C32—C50 | 108.78 (9) | F672—C67—C6 | 111.90 (9) |
C32—C33—C14 | 119.43 (9) | F673—C67—C6 | 110.30 (9) |
C32—C33—C34 | 120.67 (9) | F683—C68—F682 | 107.48 (9) |
C14—C33—C34 | 108.94 (9) | F683—C68—F681 | 108.26 (10) |
C35—C34—C33 | 119.70 (9) | F682—C68—F681 | 107.70 (9) |
C35—C34—C16 | 123.94 (9) | F683—C68—C18 | 111.91 (9) |
C33—C34—C16 | 109.02 (9) | F682—C68—C18 | 110.79 (9) |
C34—C35—C51 | 120.04 (9) | F681—C68—C18 | 110.55 (9) |
C34—C35—C36 | 122.96 (9) | F692—C69—F693 | 108.07 (9) |
C51—C35—C36 | 108.88 (9) | F692—C69—F691 | 107.33 (10) |
C37—C36—C70 | 113.05 (8) | F693—C69—F691 | 107.39 (9) |
C37—C36—C35 | 108.76 (8) | F692—C69—C16 | 111.81 (9) |
C70—C36—C35 | 112.96 (9) | F693—C69—C16 | 111.24 (9) |
C37—C36—C53 | 109.95 (9) | F691—C69—C16 | 110.80 (9) |
C70—C36—C53 | 109.95 (9) | F703—C70—F702 | 108.23 (9) |
C35—C36—C53 | 101.57 (8) | F703—C70—F701 | 107.30 (9) |
C17—C37—C38 | 110.22 (9) | F702—C70—F701 | 107.60 (9) |
C17—C37—C36 | 124.80 (9) | F703—C70—C36 | 112.39 (9) |
C38—C37—C36 | 121.35 (9) | F702—C70—C36 | 110.90 (9) |
C39—C38—C19 | 121.15 (10) | F701—C70—C36 | 110.24 (8) |
C39—C38—C37 | 120.88 (9) | C73i—C71—C72 | 119.93 (18) |
C19—C38—C37 | 108.06 (9) | C73—C72—C71 | 119.9 (2) |
C38—C39—C40 | 118.83 (10) | C71i—C73—C72 | 120.16 (18) |
C38—C39—C54 | 119.16 (10) |
Symmetry code: (i) −x, −y+3, −z. |