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The monoanion of di­hydrogenated corannulene isolated in the form of its potassium salt, namely tris(diglyme-κ3O,O′,O′′)potassium hexacyclo[11.5.2.04,17.07,16.010,15.014,18]icosa-1,3,5,7(16),8,10(15),11,13,17-nonaenide, [K(C6H14O3)3](C20H12), has been structurally characterized for the first time. The X-ray study confirms the previous NMR spectroscopic prediction that the two H atoms are attached to the same six-membered ring to form 1,2-di­hydro­corannulene, thus destroying the aromaticity of only one arene ring of the corannulene core. The direct comparison of (C20H12) with the parent corannulene anion, (C20H10), is provided to illustrate the geometry perturbations caused by rim hydrogenation.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S2053229615013145/fa3372sup1.cif
Contains datablocks global, I

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S2053229615013145/fa3372Isup2.hkl
Contains datablock I

CCDC reference: 1405179

Computing details top

Data collection: SMART (Bruker, 2003); cell refinement: SAINT (Bruker, 2003); data reduction: SAINT (Bruker, 2003); program(s) used to solve structure: SHELXTL (Bruker, 2003); program(s) used to refine structure: SHELXL2014 (Sheldrick, 2015); molecular graphics: SHELXTL (Bruker, 2003); software used to prepare material for publication: SHELXL2014 (Sheldrick, 2015).

Tris[1-methoxy-2-(2-methoxyethoxy)ethane-κ3O,O',O'']potassium hexacyclo[11.5.2.04,17.07,16.010,15.014,18]icosa-1,3,5,7(16),8,10 (15),11,13,17-nonaenide top
Crystal data top
[K(C6H14O3)3](C20H12)F(000) = 746
Mr = 693.91Dx = 1.244 Mg m3
Monoclinic, P21Mo Kα radiation, λ = 0.71073 Å
a = 9.5274 (8) ÅCell parameters from 5340 reflections
b = 15.4463 (13) Åθ = 2.2–24.7°
c = 12.7366 (11) ŵ = 0.20 mm1
β = 98.731 (1)°T = 100 K
V = 1852.6 (3) Å3Plate, black
Z = 20.18 × 0.08 × 0.04 mm
Data collection top
Bruker SMART APEX CCD area-detector
diffractometer
5599 reflections with I > 2σ(I)
Radiation source: fine-focus sealed tubeRint = 0.033
0.30° ω scansθmax = 28.3°, θmin = 1.6°
Absorption correction: multi-scan
(SADABS; Bruker, 2003)
h = 1212
Tmin = 0.837, Tmax = 1k = 2020
16228 measured reflectionsl = 1616
8319 independent reflections
Refinement top
Refinement on F2Secondary atom site location: difference Fourier map
Least-squares matrix: fullHydrogen site location: inferred from neighbouring sites
R[F2 > 2σ(F2)] = 0.067H-atom parameters constrained
wR(F2) = 0.177 w = 1/[σ2(Fo2) + (0.087P)2 + 0.4677P]
where P = (Fo2 + 2Fc2)/3
S = 1.03(Δ/σ)max < 0.001
8319 reflectionsΔρmax = 0.46 e Å3
515 parametersΔρmin = 0.34 e Å3
326 restraintsAbsolute structure: Flack x determined using 2042 quotients [(I+)-(I-)]/[(I+)+(I-)] (Parsons et al., 2013)
Primary atom site location: structure-invariant direct methodsAbsolute structure parameter: 0.01 (8)
Special details top

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.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/UeqOcc. (<1)
K10.63006 (8)0.39880 (5)0.68407 (6)0.0376 (2)
C11.2701 (4)0.3280 (3)0.1432 (3)0.0432 (9)
H11.35040.30410.11770.052*
C21.1792 (4)0.2728 (3)0.1886 (3)0.0455 (9)
H21.20120.21280.19380.055*
C31.0532 (4)0.3034 (3)0.2277 (3)0.0417 (9)
C40.9258 (5)0.2579 (3)0.2429 (4)0.0599 (13)
H40.92880.19730.25570.072*
C50.7956 (5)0.3035 (3)0.2387 (4)0.0548 (11)
H50.71100.27130.24010.066*
C60.7860 (4)0.3947 (3)0.2323 (3)0.0443 (9)
C70.6596 (4)0.4489 (3)0.1948 (4)0.0558 (12)
H7A0.61070.42290.12800.067*
H7B0.59420.44410.24790.067*
C80.6793 (5)0.5414 (4)0.1748 (4)0.0675 (14)
H8A0.60510.55850.11530.081*
H8B0.65950.57330.23830.081*
C90.8156 (4)0.5731 (3)0.1497 (3)0.0469 (10)
C100.8501 (5)0.6362 (3)0.0782 (4)0.0516 (11)
H100.77860.67600.04900.062*
C110.9864 (5)0.6431 (3)0.0477 (4)0.0537 (11)
H111.00420.68850.00120.064*
C121.0963 (4)0.5846 (3)0.0842 (3)0.0438 (9)
C131.2236 (4)0.5610 (3)0.0432 (3)0.0492 (10)
H131.26180.60120.00140.059*
C141.2939 (4)0.4827 (3)0.0654 (3)0.0453 (10)
H141.37640.47110.03420.054*
C151.2457 (4)0.4188 (3)0.1339 (3)0.0404 (10)
C161.1341 (4)0.4482 (2)0.1862 (3)0.0341 (8)
C171.0442 (3)0.3925 (3)0.2324 (3)0.0359 (8)
C180.9152 (4)0.4387 (3)0.2367 (3)0.0412 (9)
C190.9288 (4)0.5210 (3)0.1949 (3)0.0396 (9)
C201.0649 (4)0.5272 (2)0.1627 (3)0.0387 (9)
O10.7798 (3)0.5223 (2)0.5734 (3)0.0611 (8)
O20.8447 (3)0.3430 (2)0.5659 (3)0.0617 (8)
O30.7117 (4)0.2206 (2)0.6725 (3)0.0715 (10)
C210.7164 (6)0.6034 (4)0.5475 (5)0.0737 (15)
H21A0.67780.62630.60900.111*
H21B0.63950.59680.48760.111*
H21C0.78770.64360.52790.111*
C220.8373 (7)0.4858 (3)0.4888 (4)0.0693 (14)
H22A0.89900.52890.46070.083*
H22B0.75950.47070.43100.083*
C230.9209 (5)0.4074 (4)0.5217 (5)0.0779 (16)
H23A0.95720.38310.45900.093*
H23B1.00400.42400.57430.093*
C240.9132 (6)0.2751 (4)0.6097 (6)0.0829 (18)
H24A0.97060.29430.67710.099*
H24B0.98060.25630.56220.099*
C250.8351 (5)0.2020 (3)0.6324 (5)0.0660 (14)
H25A0.81050.16780.56640.079*
H25B0.89630.16540.68430.079*
C260.6253 (6)0.1516 (4)0.6907 (4)0.0697 (14)
H26A0.54190.17330.71890.105*
H26B0.67840.11190.74210.105*
H26C0.59460.12080.62380.105*
O40.8862 (6)0.4349 (5)0.8253 (4)0.0605 (14)0.70
O50.6621 (6)0.3536 (3)0.9046 (5)0.0545 (12)0.70
O60.4139 (6)0.3011 (4)0.7618 (4)0.0519 (14)0.70
C270.981 (2)0.5023 (9)0.8150 (8)0.078 (3)0.70
H27A0.97010.52050.74050.117*0.70
H27B1.07800.48240.83810.117*0.70
H27C0.95980.55130.85900.117*0.70
C280.8991 (8)0.4068 (5)0.9336 (5)0.0562 (14)0.70
H28A0.87380.45500.97840.067*0.70
H28B0.99870.39010.95920.067*0.70
C290.8036 (8)0.3314 (5)0.9427 (5)0.0625 (14)0.70
H29A0.83270.28210.90130.075*0.70
H29B0.81190.31341.01800.075*0.70
C300.5658 (11)0.2938 (5)0.9314 (6)0.0651 (16)0.70
H30A0.56510.29501.00910.078*0.70
H30B0.59330.23490.91160.078*0.70
C310.4164 (9)0.3161 (6)0.8720 (6)0.0651 (16)0.70
H31A0.34410.27970.89880.078*0.70
H31B0.39420.37760.88420.078*0.70
C320.2775 (7)0.2923 (6)0.7078 (7)0.064 (2)0.70
H32A0.28120.28210.63230.096*0.70
H32B0.22370.34540.71580.096*0.70
H32C0.23090.24320.73690.096*0.70
O4X0.9198 (16)0.4319 (10)0.7939 (9)0.063 (3)0.30
O5X0.7037 (12)0.3780 (9)0.9181 (12)0.059 (2)0.30
O6X0.4492 (15)0.3169 (11)0.7945 (10)0.055 (3)0.30
C27X0.977 (5)0.5122 (19)0.786 (2)0.075 (5)0.30
H27D0.94560.53570.71470.112*0.30
H27E1.08120.50790.79790.112*0.30
H27F0.94670.55070.83920.112*0.30
C28X0.9469 (16)0.3830 (11)0.8841 (11)0.059 (2)0.30
H28C1.04330.39820.92000.071*0.30
H28D0.94970.32160.86230.071*0.30
C29X0.8508 (15)0.3892 (16)0.9627 (11)0.055 (2)0.30
H29C0.87730.34461.01790.066*0.30
H29D0.86290.44660.99750.066*0.30
C30X0.664 (2)0.2945 (11)0.9330 (14)0.063 (2)0.30
H30C0.69270.27731.00800.075*0.30
H30D0.70970.25490.88730.075*0.30
C31X0.496 (2)0.2904 (14)0.9023 (12)0.059 (2)0.30
H31C0.46360.23040.91200.070*0.30
H31D0.45200.32830.95090.070*0.30
C32X0.3063 (17)0.3147 (13)0.7691 (14)0.060 (3)0.30
H32D0.27900.33260.69500.091*0.30
H32E0.26390.35430.81570.091*0.30
H32F0.27240.25570.77840.091*0.30
O70.4973 (4)0.5355 (3)0.7858 (3)0.0920 (14)
O80.3742 (4)0.5004 (3)0.5814 (3)0.0816 (12)
O90.4653 (3)0.3545 (2)0.4845 (2)0.0672 (10)
C330.5811 (5)0.5675 (3)0.8780 (4)0.0584 (12)
H33A0.65730.52620.90220.088*
H33B0.52180.57530.93390.088*
H33C0.62240.62320.86240.088*
C340.3904 (6)0.5809 (4)0.7414 (5)0.090 (2)
H34A0.42720.63840.72470.108*
H34B0.32700.59020.79510.108*
C350.3055 (5)0.5499 (4)0.6480 (3)0.0580 (12)
H35A0.22720.51510.66920.070*
H35B0.26220.60030.60740.070*
C360.3013 (5)0.4680 (3)0.4912 (3)0.0532 (11)
H36A0.26530.51710.44480.064*
H36B0.21770.43650.50940.064*
C370.3768 (7)0.4110 (4)0.4315 (4)0.0839 (18)
H37A0.30610.37820.38190.101*
H37B0.43170.44700.38770.101*
C380.5271 (5)0.2934 (3)0.4248 (3)0.0513 (11)
H38A0.58990.25560.47260.077*
H38B0.58230.32320.37680.077*
H38C0.45250.25870.38320.077*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
K10.0347 (4)0.0460 (5)0.0321 (4)0.0026 (4)0.0048 (3)0.0001 (4)
C10.034 (2)0.058 (3)0.039 (2)0.0066 (18)0.0072 (16)0.0098 (19)
C20.039 (2)0.048 (2)0.047 (2)0.0066 (19)0.0003 (17)0.0054 (19)
C30.043 (2)0.043 (2)0.038 (2)0.0003 (17)0.0053 (17)0.0020 (17)
C40.061 (3)0.044 (3)0.080 (3)0.006 (2)0.028 (3)0.002 (2)
C50.050 (3)0.058 (3)0.060 (3)0.007 (2)0.023 (2)0.002 (2)
C60.0399 (19)0.054 (2)0.042 (2)0.002 (2)0.0156 (15)0.007 (2)
C70.039 (2)0.073 (3)0.058 (3)0.003 (2)0.015 (2)0.022 (2)
C80.048 (3)0.098 (4)0.058 (3)0.022 (3)0.012 (2)0.003 (3)
C90.049 (2)0.055 (3)0.036 (2)0.0088 (19)0.0048 (17)0.0135 (19)
C100.065 (3)0.038 (2)0.050 (3)0.013 (2)0.004 (2)0.0070 (19)
C110.060 (3)0.045 (3)0.053 (3)0.001 (2)0.001 (2)0.000 (2)
C120.052 (2)0.039 (2)0.039 (2)0.0065 (18)0.0022 (18)0.0011 (17)
C130.050 (2)0.058 (3)0.040 (2)0.012 (2)0.0047 (18)0.001 (2)
C140.032 (2)0.068 (3)0.036 (2)0.0119 (19)0.0061 (16)0.0093 (19)
C150.0273 (17)0.059 (3)0.0327 (19)0.0051 (16)0.0016 (14)0.0084 (17)
C160.0298 (18)0.041 (2)0.0290 (18)0.0045 (16)0.0024 (14)0.0059 (16)
C170.0351 (17)0.043 (2)0.0299 (17)0.0030 (18)0.0072 (13)0.0047 (18)
C180.042 (2)0.046 (2)0.036 (2)0.0006 (17)0.0104 (17)0.0091 (17)
C190.043 (2)0.044 (2)0.033 (2)0.0030 (17)0.0077 (16)0.0115 (17)
C200.042 (2)0.039 (2)0.033 (2)0.0073 (17)0.0012 (16)0.0098 (16)
O10.065 (2)0.058 (2)0.066 (2)0.0013 (16)0.0254 (17)0.0035 (16)
O20.067 (2)0.062 (2)0.061 (2)0.0035 (17)0.0248 (16)0.0049 (17)
O30.061 (2)0.065 (2)0.093 (3)0.0060 (17)0.0236 (19)0.0158 (19)
C210.075 (4)0.068 (3)0.081 (4)0.005 (3)0.019 (3)0.016 (3)
C220.099 (4)0.066 (3)0.047 (3)0.004 (3)0.025 (3)0.001 (2)
C230.057 (3)0.094 (4)0.090 (4)0.004 (3)0.035 (3)0.013 (4)
C240.056 (3)0.082 (4)0.113 (5)0.018 (3)0.020 (3)0.030 (4)
C250.060 (3)0.052 (3)0.089 (4)0.019 (2)0.024 (3)0.003 (3)
C260.072 (3)0.066 (3)0.072 (4)0.005 (3)0.013 (3)0.010 (3)
O40.044 (3)0.109 (3)0.029 (3)0.004 (2)0.0046 (19)0.020 (2)
O50.073 (3)0.047 (3)0.043 (2)0.010 (2)0.005 (2)0.002 (2)
O60.050 (3)0.064 (3)0.043 (3)0.012 (2)0.013 (2)0.006 (2)
C270.067 (5)0.132 (7)0.034 (5)0.023 (5)0.003 (5)0.014 (4)
C280.053 (3)0.080 (4)0.031 (3)0.015 (3)0.010 (3)0.015 (3)
C290.078 (3)0.060 (3)0.048 (3)0.020 (3)0.002 (3)0.007 (3)
C300.092 (4)0.059 (3)0.044 (3)0.017 (4)0.009 (3)0.002 (3)
C310.076 (3)0.074 (4)0.049 (3)0.028 (3)0.022 (3)0.008 (3)
C320.046 (3)0.088 (6)0.058 (4)0.001 (3)0.004 (3)0.021 (4)
O4X0.063 (6)0.092 (5)0.033 (5)0.010 (5)0.006 (4)0.011 (5)
O5X0.060 (4)0.066 (5)0.047 (4)0.004 (4)0.002 (4)0.009 (4)
O6X0.064 (5)0.066 (5)0.040 (5)0.011 (4)0.019 (4)0.008 (5)
C27X0.048 (8)0.112 (8)0.065 (11)0.024 (7)0.012 (10)0.007 (7)
C28X0.056 (4)0.084 (5)0.037 (5)0.002 (5)0.003 (4)0.012 (4)
C29X0.056 (4)0.072 (5)0.035 (4)0.007 (4)0.002 (4)0.001 (5)
C30X0.078 (4)0.059 (4)0.050 (4)0.001 (4)0.007 (4)0.006 (4)
C31X0.076 (5)0.060 (5)0.042 (5)0.013 (5)0.016 (4)0.007 (4)
C32X0.062 (5)0.070 (8)0.052 (7)0.026 (7)0.019 (5)0.019 (7)
O70.075 (2)0.118 (3)0.074 (2)0.053 (2)0.016 (2)0.043 (2)
O80.066 (2)0.105 (3)0.066 (2)0.040 (2)0.0148 (18)0.035 (2)
O90.0580 (19)0.090 (2)0.0468 (17)0.0339 (18)0.0131 (14)0.0183 (17)
C330.057 (3)0.063 (3)0.056 (3)0.001 (2)0.012 (2)0.013 (2)
C340.081 (4)0.092 (4)0.092 (4)0.036 (3)0.002 (3)0.044 (4)
C350.048 (3)0.079 (3)0.049 (3)0.022 (2)0.014 (2)0.011 (2)
C360.048 (2)0.067 (3)0.044 (2)0.014 (2)0.005 (2)0.011 (2)
C370.102 (4)0.086 (4)0.051 (3)0.036 (4)0.029 (3)0.014 (3)
C380.051 (2)0.056 (3)0.044 (2)0.005 (2)0.0015 (19)0.005 (2)
Geometric parameters (Å, º) top
K1—O6X2.698 (14)C26—H26B0.9800
K1—O62.849 (6)C26—H26C0.9800
K1—O22.850 (3)O4—C271.395 (11)
K1—O42.858 (6)O4—C281.432 (8)
K1—O92.860 (3)O5—C301.381 (10)
K1—O52.865 (6)O5—C291.404 (9)
K1—O72.869 (3)O6—C321.382 (8)
K1—O32.871 (4)O6—C311.419 (9)
K1—O12.876 (3)C27—H27A0.9800
K1—O4X2.944 (15)C27—H27B0.9800
K1—O5X2.974 (15)C27—H27C0.9800
K1—O83.025 (3)C28—C291.493 (11)
C1—C21.401 (6)C28—H28A0.9900
C1—C151.423 (6)C28—H28B0.9900
C1—H10.9500C29—H29A0.9900
C2—C31.447 (6)C29—H29B0.9900
C2—H20.9500C30—C311.546 (12)
C3—C171.382 (6)C30—H30A0.9900
C3—C41.441 (6)C30—H30B0.9900
C4—C51.421 (6)C31—H31A0.9900
C4—H40.9500C31—H31B0.9900
C5—C61.413 (6)C32—H32A0.9800
C5—H50.9500C32—H32B0.9800
C6—C181.400 (5)C32—H32C0.9800
C6—C71.484 (6)O4X—C27X1.368 (16)
C7—C81.469 (8)O4X—C28X1.366 (15)
C7—H7A0.9900O5X—C30X1.364 (16)
C7—H7B0.9900O5X—C29X1.440 (15)
C8—C91.467 (7)O6X—C32X1.351 (16)
C8—H8A0.9900O6X—C31X1.438 (16)
C8—H8B0.9900C27X—H27D0.9800
C9—C191.398 (6)C27X—H27E0.9800
C9—C101.407 (6)C27X—H27F0.9800
C10—C111.414 (7)C28X—C29X1.458 (14)
C10—H100.9500C28X—H28C0.9900
C11—C121.407 (6)C28X—H28D0.9900
C11—H110.9500C29X—H29C0.9900
C12—C201.403 (5)C29X—H29D0.9900
C12—C131.438 (6)C30X—C31X1.590 (18)
C13—C141.390 (6)C30X—H30C0.9900
C13—H130.9500C30X—H30D0.9900
C14—C151.438 (6)C31X—H31C0.9900
C14—H140.9500C31X—H31D0.9900
C15—C161.412 (5)C32X—H32D0.9800
C16—C201.397 (6)C32X—H32E0.9800
C16—C171.405 (5)C32X—H32F0.9800
C17—C181.430 (5)O7—C341.294 (6)
C18—C191.391 (6)O7—C331.406 (6)
C19—C201.422 (5)O8—C361.346 (6)
O1—C221.400 (6)O8—C351.379 (5)
O1—C211.409 (6)O9—C371.325 (6)
O2—C241.314 (6)O9—C381.397 (5)
O2—C231.399 (6)C33—H33A0.9800
O3—C251.381 (6)C33—H33B0.9800
O3—C261.387 (6)C33—H33C0.9800
C21—H21A0.9800C34—C351.416 (7)
C21—H21B0.9800C34—H34A0.9900
C21—H21C0.9800C34—H34B0.9900
C22—C231.474 (8)C35—H35A0.9900
C22—H22A0.9900C35—H35B0.9900
C22—H22B0.9900C36—C371.427 (7)
C23—H23A0.9900C36—H36A0.9900
C23—H23B0.9900C36—H36B0.9900
C24—C251.406 (8)C37—H37A0.9900
C24—H24A0.9900C37—H37B0.9900
C24—H24B0.9900C38—H38A0.9800
C25—H25A0.9900C38—H38B0.9800
C25—H25B0.9900C38—H38C0.9800
C26—H26A0.9800
O6X—K1—O611.0 (3)O2—C23—H23B108.8
O6X—K1—O2134.4 (4)C22—C23—H23B108.8
O6—K1—O2129.63 (15)H23A—C23—H23B107.6
O6X—K1—O4108.4 (3)O2—C24—C25119.0 (5)
O6—K1—O4118.52 (16)O2—C24—H24A107.6
O2—K1—O477.22 (12)C25—C24—H24A107.6
O6X—K1—O992.5 (3)O2—C24—H24B107.6
O6—K1—O981.61 (13)C25—C24—H24B107.6
O2—K1—O978.44 (9)H24A—C24—H24B107.0
O4—K1—O9155.09 (12)O3—C25—C24114.6 (4)
O6X—K1—O549.9 (3)O3—C25—H25A108.6
O6—K1—O560.34 (15)C24—C25—H25A108.6
O2—K1—O5117.75 (14)O3—C25—H25B108.6
O4—K1—O558.45 (15)C24—C25—H25B108.6
O9—K1—O5140.82 (13)H25A—C25—H25B107.6
O6X—K1—O775.5 (4)O3—C26—H26A109.5
O6—K1—O780.89 (17)O3—C26—H26B109.5
O2—K1—O7149.48 (13)H26A—C26—H26B109.5
O4—K1—O787.99 (14)O3—C26—H26C109.5
O9—K1—O7110.92 (10)H26A—C26—H26C109.5
O5—K1—O774.07 (15)H26B—C26—H26C109.5
O6X—K1—O377.1 (4)C27—O4—C28110.7 (6)
O6—K1—O374.06 (15)C27—O4—K1125.9 (6)
O2—K1—O357.41 (10)C28—O4—K1119.2 (4)
O4—K1—O390.42 (16)C30—O5—C29113.0 (6)
O9—K1—O380.88 (10)C30—O5—K1115.5 (4)
O5—K1—O380.04 (14)C29—O5—K1110.6 (4)
O7—K1—O3150.50 (13)C32—O6—C31112.4 (6)
O6X—K1—O1165.9 (4)C32—O6—K1123.6 (4)
O6—K1—O1163.78 (14)C31—O6—K1110.6 (4)
O2—K1—O159.51 (10)O4—C27—H27A109.5
O4—K1—O174.90 (14)O4—C27—H27B109.5
O9—K1—O188.25 (11)H27A—C27—H27B109.5
O5—K1—O1130.92 (13)O4—C27—H27C109.5
O7—K1—O191.06 (13)H27A—C27—H27C109.5
O3—K1—O1116.91 (10)H27B—C27—H27C109.5
O6X—K1—O4X117.4 (3)O4—C28—C29110.3 (5)
O6—K1—O4X127.0 (3)O4—C28—H28A109.6
O2—K1—O4X66.8 (3)C29—C28—H28A109.6
O4—K1—O4X10.8 (2)O4—C28—H28B109.6
O9—K1—O4X144.3 (3)C29—C28—H28B109.6
O5—K1—O4X67.9 (2)H28A—C28—H28B108.1
O7—K1—O4X95.9 (3)O5—C29—C28110.4 (6)
O3—K1—O4X87.1 (3)O5—C29—H29A109.6
O1—K1—O4X67.6 (3)C28—C29—H29A109.6
O6X—K1—O5X60.0 (3)O5—C29—H29B109.6
O6—K1—O5X70.6 (2)C28—C29—H29B109.6
O2—K1—O5X114.7 (3)H29A—C29—H29B108.1
O4—K1—O5X48.8 (2)O5—C30—C31109.0 (6)
O9—K1—O5X151.5 (2)O5—C30—H30A109.9
O5—K1—O5X10.7 (2)C31—C30—H30A109.9
O7—K1—O5X71.4 (3)O5—C30—H30B109.9
O3—K1—O5X85.6 (3)C31—C30—H30B109.9
O1—K1—O5X120.2 (2)H30A—C30—H30B108.3
O4X—K1—O5X58.7 (3)O6—C31—C30108.9 (6)
O6X—K1—O886.1 (3)O6—C31—H31A109.9
O6—K1—O881.24 (16)C30—C31—H31A109.9
O2—K1—O8121.62 (10)O6—C31—H31B109.9
O4—K1—O8136.56 (16)C30—C31—H31B109.9
O9—K1—O856.09 (9)H31A—C31—H31B108.3
O5—K1—O8120.62 (14)O6—C32—H32A109.5
O7—K1—O855.39 (10)O6—C32—H32B109.5
O3—K1—O8133.01 (11)H32A—C32—H32B109.5
O1—K1—O882.60 (11)O6—C32—H32C109.5
O4X—K1—O8138.7 (3)H32A—C32—H32C109.5
O5X—K1—O8122.8 (3)H32B—C32—H32C109.5
C2—C1—C15122.1 (4)C27X—O4X—C28X122.5 (16)
C2—C1—H1119.0C27X—O4X—K1118.7 (19)
C15—C1—H1119.0C28X—O4X—K1110.3 (9)
C1—C2—C3122.7 (4)C30X—O5X—C29X109.4 (15)
C1—C2—H2118.6C30X—O5X—K1102.3 (10)
C3—C2—H2118.6C29X—O5X—K1116.7 (9)
C17—C3—C4114.9 (4)C32X—O6X—C31X112.1 (13)
C17—C3—C2113.6 (4)C32X—O6X—K1126.0 (10)
C4—C3—C2130.3 (4)C31X—O6X—K1120.1 (9)
C5—C4—C3120.1 (4)O4X—C27X—H27D109.5
C5—C4—H4119.9O4X—C27X—H27E109.5
C3—C4—H4119.9H27D—C27X—H27E109.5
C6—C5—C4123.1 (4)O4X—C27X—H27F109.5
C6—C5—H5118.5H27D—C27X—H27F109.5
C4—C5—H5118.5H27E—C27X—H27F109.5
C18—C6—C5115.6 (4)O4X—C28X—C29X118.9 (14)
C18—C6—C7113.9 (4)O4X—C28X—H28C107.6
C5—C6—C7128.5 (4)C29X—C28X—H28C107.6
C8—C7—C6119.0 (4)O4X—C28X—H28D107.6
C8—C7—H7A107.6C29X—C28X—H28D107.6
C6—C7—H7A107.6H28C—C28X—H28D107.0
C8—C7—H7B107.6O5X—C29X—C28X113.3 (13)
C6—C7—H7B107.6O5X—C29X—H29C108.9
H7A—C7—H7B107.0C28X—C29X—H29C108.9
C9—C8—C7120.2 (4)O5X—C29X—H29D108.9
C9—C8—H8A107.3C28X—C29X—H29D108.9
C7—C8—H8A107.3H29C—C29X—H29D107.7
C9—C8—H8B107.3O5X—C30X—C31X107.1 (14)
C7—C8—H8B107.3O5X—C30X—H30C110.3
H8A—C8—H8B106.9C31X—C30X—H30C110.3
C19—C9—C10115.1 (4)O5X—C30X—H30D110.3
C19—C9—C8111.8 (4)C31X—C30X—H30D110.3
C10—C9—C8132.3 (4)H30C—C30X—H30D108.5
C9—C10—C11123.0 (4)O6X—C31X—C30X112.2 (12)
C9—C10—H10118.5O6X—C31X—H31C109.2
C11—C10—H10118.5C30X—C31X—H31C109.2
C12—C11—C10122.0 (4)O6X—C31X—H31D109.2
C12—C11—H11119.0C30X—C31X—H31D109.2
C10—C11—H11119.0H31C—C31X—H31D107.9
C20—C12—C11114.4 (4)O6X—C32X—H32D109.5
C20—C12—C13112.4 (4)O6X—C32X—H32E109.5
C11—C12—C13132.0 (4)H32D—C32X—H32E109.5
C14—C13—C12123.6 (4)O6X—C32X—H32F109.5
C14—C13—H13118.2H32D—C32X—H32F109.5
C12—C13—H13118.2H32E—C32X—H32F109.5
C13—C14—C15122.2 (4)C34—O7—C33119.0 (4)
C13—C14—H14118.9C34—O7—K1125.0 (3)
C15—C14—H14118.9C33—O7—K1113.8 (3)
C16—C15—C1113.7 (4)C36—O8—C35120.0 (4)
C16—C15—C14113.4 (4)C36—O8—K1117.0 (3)
C1—C15—C14131.6 (4)C35—O8—K1116.6 (3)
C20—C16—C17109.0 (3)C37—O9—C38117.1 (4)
C20—C16—C15123.0 (4)C37—O9—K1121.1 (3)
C17—C16—C15123.5 (4)C38—O9—K1115.2 (2)
C3—C17—C16123.1 (3)O7—C33—H33A109.5
C3—C17—C18124.0 (4)O7—C33—H33B109.5
C16—C17—C18107.1 (4)H33A—C33—H33B109.5
C19—C18—C6124.1 (4)O7—C33—H33C109.5
C19—C18—C17108.1 (3)H33A—C33—H33C109.5
C6—C18—C17120.8 (4)H33B—C33—H33C109.5
C18—C19—C9124.9 (4)O7—C34—C35119.7 (5)
C18—C19—C20108.3 (3)O7—C34—H34A107.4
C9—C19—C20121.6 (4)C35—C34—H34A107.4
C16—C20—C12124.0 (4)O7—C34—H34B107.4
C16—C20—C19107.5 (3)C35—C34—H34B107.4
C12—C20—C19123.4 (4)H34A—C34—H34B106.9
C22—O1—C21112.5 (4)O8—C35—C34116.1 (4)
C22—O1—K1113.0 (3)O8—C35—H35A108.3
C21—O1—K1118.5 (3)C34—C35—H35A108.3
C24—O2—C23118.9 (4)O8—C35—H35B108.3
C24—O2—K1111.5 (3)C34—C35—H35B108.3
C23—O2—K1117.1 (3)H35A—C35—H35B107.4
C25—O3—C26117.5 (4)O8—C36—C37116.6 (4)
C25—O3—K1118.1 (3)O8—C36—H36A108.1
C26—O3—K1123.8 (3)C37—C36—H36A108.1
O1—C21—H21A109.5O8—C36—H36B108.1
O1—C21—H21B109.5C37—C36—H36B108.1
H21A—C21—H21B109.5H36A—C36—H36B107.3
O1—C21—H21C109.5O9—C37—C36117.8 (4)
H21A—C21—H21C109.5O9—C37—H37A107.8
H21B—C21—H21C109.5C36—C37—H37A107.8
O1—C22—C23111.7 (4)O9—C37—H37B107.8
O1—C22—H22A109.3C36—C37—H37B107.8
C23—C22—H22A109.3H37A—C37—H37B107.2
O1—C22—H22B109.3O9—C38—H38A109.5
C23—C22—H22B109.3O9—C38—H38B109.5
H22A—C22—H22B107.9H38A—C38—H38B109.5
O2—C23—C22114.0 (4)O9—C38—H38C109.5
O2—C23—H23A108.8H38A—C38—H38C109.5
C22—C23—H23A108.8H38B—C38—H38C109.5
C15—C1—C2—C31.0 (6)O6X—K1—O6—C32145 (3)
C1—C2—C3—C1710.1 (6)O2—K1—O6—C3294.5 (6)
C1—C2—C3—C4156.5 (5)O4—K1—O6—C32168.4 (6)
C17—C3—C4—C513.2 (6)O9—K1—O6—C3227.2 (6)
C2—C3—C4—C5153.3 (5)O5—K1—O6—C32162.5 (7)
C3—C4—C5—C67.6 (7)O7—K1—O6—C3285.7 (6)
C4—C5—C6—C183.6 (6)O3—K1—O6—C32110.0 (6)
C4—C5—C6—C7159.2 (4)O1—K1—O6—C3224.7 (9)
C18—C6—C7—C84.8 (6)O4X—K1—O6—C32176.4 (7)
C5—C6—C7—C8167.8 (4)O5X—K1—O6—C32159.1 (7)
C6—C7—C8—C924.6 (6)O8—K1—O6—C3229.6 (6)
C7—C8—C9—C1928.1 (6)O6X—K1—O6—C318 (2)
C7—C8—C9—C10140.9 (5)O2—K1—O6—C31127.7 (5)
C19—C9—C10—C114.3 (6)O4—K1—O6—C3130.7 (6)
C8—C9—C10—C11164.5 (5)O9—K1—O6—C31164.9 (6)
C9—C10—C11—C122.5 (7)O5—K1—O6—C3124.8 (5)
C10—C11—C12—C207.9 (6)O7—K1—O6—C3152.0 (6)
C10—C11—C12—C13158.4 (4)O3—K1—O6—C31112.3 (6)
C20—C12—C13—C1410.3 (5)O1—K1—O6—C31113.0 (6)
C11—C12—C13—C14156.2 (4)O4X—K1—O6—C3138.6 (7)
C12—C13—C14—C151.4 (6)O5X—K1—O6—C3121.3 (6)
C2—C1—C15—C167.5 (5)O8—K1—O6—C31108.1 (6)
C2—C1—C15—C14158.5 (4)C27—O4—C28—C29176.8 (10)
C13—C14—C15—C167.9 (5)K1—O4—C28—C2924.7 (8)
C13—C14—C15—C1158.2 (4)C30—O5—C29—C28166.9 (6)
C1—C15—C16—C20160.6 (3)K1—O5—C29—C2861.9 (6)
C14—C15—C16—C208.0 (5)O4—C28—C29—O558.1 (8)
C1—C15—C16—C177.1 (5)C29—O5—C30—C31171.4 (6)
C14—C15—C16—C17161.6 (3)K1—O5—C30—C3142.6 (8)
C4—C3—C17—C16158.0 (4)C32—O6—C31—C30160.5 (7)
C2—C3—C17—C1610.8 (5)K1—O6—C31—C3056.7 (7)
C4—C3—C17—C188.5 (6)O5—C30—C31—O668.4 (8)
C2—C3—C17—C18160.3 (4)O6X—K1—O4X—C27X134 (2)
C20—C16—C17—C3154.3 (3)O6—K1—O4X—C27X140.1 (19)
C15—C16—C17—C32.4 (6)O2—K1—O4X—C27X96.8 (19)
C20—C16—C17—C180.4 (4)O4—K1—O4X—C27X100 (3)
C15—C16—C17—C18156.3 (3)O9—K1—O4X—C27X82 (2)
C5—C6—C18—C19155.7 (4)O5—K1—O4X—C27X127 (2)
C7—C6—C18—C199.7 (5)O7—K1—O4X—C27X57.0 (19)
C5—C6—C18—C178.6 (5)O3—K1—O4X—C27X152.4 (19)
C7—C6—C18—C17156.7 (4)O1—K1—O4X—C27X31.6 (19)
C3—C17—C18—C19154.3 (4)O5X—K1—O4X—C27X121 (2)
C16—C17—C18—C190.7 (4)O8—K1—O4X—C27X15 (2)
C3—C17—C18—C62.5 (6)O6X—K1—O4X—C28X15.1 (12)
C16—C17—C18—C6151.1 (3)O6—K1—O4X—C28X8.8 (12)
C6—C18—C19—C94.7 (6)O2—K1—O4X—C28X114.3 (11)
C17—C18—C19—C9155.3 (4)O4—K1—O4X—C28X49.2 (18)
C6—C18—C19—C20149.9 (4)O9—K1—O4X—C28X128.6 (9)
C17—C18—C19—C200.7 (4)O5—K1—O4X—C28X21.7 (10)
C10—C9—C19—C18156.8 (4)O7—K1—O4X—C28X91.9 (11)
C8—C9—C19—C1814.3 (6)O3—K1—O4X—C28X58.7 (11)
C10—C9—C19—C205.3 (5)O1—K1—O4X—C28X179.5 (11)
C8—C9—C19—C20165.8 (4)O5X—K1—O4X—C28X27.9 (10)
C17—C16—C20—C12155.5 (3)O8—K1—O4X—C28X133.5 (10)
C15—C16—C20—C121.3 (5)O6X—K1—O5X—C30X42.8 (11)
C17—C16—C20—C190.0 (4)O6—K1—O5X—C30X39.8 (10)
C15—C16—C20—C19156.9 (3)O2—K1—O5X—C30X85.8 (10)
C11—C12—C20—C16158.7 (4)O4—K1—O5X—C30X129.3 (12)
C13—C12—C20—C1610.3 (5)O9—K1—O5X—C30X26.8 (14)
C11—C12—C20—C196.9 (5)O5—K1—O5X—C30X23.4 (17)
C13—C12—C20—C19162.1 (4)O7—K1—O5X—C30X126.4 (10)
C18—C19—C20—C160.4 (4)O3—K1—O5X—C30X34.9 (10)
C9—C19—C20—C16156.1 (3)O1—K1—O5X—C30X153.6 (9)
C18—C19—C20—C12155.3 (4)O4X—K1—O5X—C30X124.1 (12)
C9—C19—C20—C120.4 (6)O8—K1—O5X—C30X105.0 (10)
O6X—K1—O1—C22147.1 (11)O6X—K1—O5X—C29X162.2 (15)
O6—K1—O1—C22105.0 (6)O6—K1—O5X—C29X159.2 (14)
O2—K1—O1—C2223.7 (3)O2—K1—O5X—C29X33.6 (14)
O4—K1—O1—C22107.6 (4)O4—K1—O5X—C29X9.9 (12)
O9—K1—O1—C2253.9 (3)O9—K1—O5X—C29X146.2 (12)
O5—K1—O1—C22125.6 (4)O5—K1—O5X—C29X143 (3)
O7—K1—O1—C22164.8 (3)O7—K1—O5X—C29X114.2 (14)
O3—K1—O1—C2225.0 (4)O3—K1—O5X—C29X84.5 (14)
O4X—K1—O1—C2299.2 (5)O1—K1—O5X—C29X34.2 (15)
O5X—K1—O1—C22126.3 (5)O4X—K1—O5X—C29X4.7 (13)
O8—K1—O1—C22109.9 (3)O8—K1—O5X—C29X135.6 (13)
O6X—K1—O1—C2112.3 (12)O6—K1—O6X—C32X45 (2)
O6—K1—O1—C2129.8 (7)O2—K1—O6X—C32X113.8 (15)
O2—K1—O1—C21158.5 (4)O4—K1—O6X—C32X156.3 (15)
O4—K1—O1—C21117.7 (4)O9—K1—O6X—C32X37.6 (16)
O9—K1—O1—C2180.9 (4)O5—K1—O6X—C32X154.6 (18)
O5—K1—O1—C2199.7 (4)O7—K1—O6X—C32X73.4 (16)
O7—K1—O1—C2130.0 (4)O3—K1—O6X—C32X117.6 (16)
O3—K1—O1—C21159.7 (3)O1—K1—O6X—C32X55 (2)
O4X—K1—O1—C21126.0 (5)O4X—K1—O6X—C32X162.6 (15)
O5X—K1—O1—C2199.0 (5)O5X—K1—O6X—C32X150.0 (17)
O8—K1—O1—C2124.9 (4)O8—K1—O6X—C32X18.2 (15)
O6X—K1—O2—C2436.1 (6)O6—K1—O6X—C31X152 (4)
O6—K1—O2—C2449.4 (4)O2—K1—O6X—C31X82.9 (16)
O4—K1—O2—C2467.2 (4)O4—K1—O6X—C31X7.0 (16)
O9—K1—O2—C24118.1 (4)O9—K1—O6X—C31X159.1 (15)
O5—K1—O2—C2423.7 (4)O5—K1—O6X—C31X8.7 (13)
O7—K1—O2—C24130.1 (4)O7—K1—O6X—C31X89.9 (15)
O3—K1—O2—C2431.7 (4)O3—K1—O6X—C31X79.1 (15)
O1—K1—O2—C24147.0 (4)O1—K1—O6X—C31X108.2 (16)
O4X—K1—O2—C2470.3 (5)O4X—K1—O6X—C31X0.7 (17)
O5X—K1—O2—C2435.2 (5)O5X—K1—O6X—C31X13.3 (14)
O8—K1—O2—C24155.5 (4)O8—K1—O6X—C31X145.1 (15)
O6X—K1—O2—C23178.0 (5)C27X—O4X—C28X—C29X93 (3)
O6—K1—O2—C23168.7 (3)K1—O4X—C28X—C29X54.9 (17)
O4—K1—O2—C2374.7 (4)C30X—O5X—C29X—C28X98 (2)
O9—K1—O2—C23100.0 (3)K1—O5X—C29X—C28X18 (2)
O5—K1—O2—C23118.1 (3)O4X—C28X—C29X—O5X51 (2)
O7—K1—O2—C2311.8 (4)C29X—O5X—C30X—C31X169.6 (13)
O3—K1—O2—C23173.5 (4)K1—O5X—C30X—C31X66.0 (13)
O1—K1—O2—C235.2 (3)C32X—O6X—C31X—C30X179.0 (16)
O4X—K1—O2—C2371.5 (4)K1—O6X—C31X—C30X14 (2)
O5X—K1—O2—C23106.7 (4)O5X—C30X—C31X—O6X59 (2)
O8—K1—O2—C2362.6 (4)O6X—K1—O7—C3497.4 (6)
O6X—K1—O3—C25170.1 (5)O6—K1—O7—C3487.7 (6)
O6—K1—O3—C25179.0 (4)O2—K1—O7—C3492.7 (6)
O2—K1—O3—C2513.2 (4)O4—K1—O7—C34153.0 (6)
O4—K1—O3—C2561.3 (4)O9—K1—O7—C3410.3 (6)
O9—K1—O3—C2595.2 (4)O5—K1—O7—C34149.3 (6)
O5—K1—O3—C25119.1 (4)O3—K1—O7—C34119.7 (6)
O7—K1—O3—C25148.0 (4)O1—K1—O7—C3478.2 (6)
O1—K1—O3—C2511.9 (4)O4X—K1—O7—C34145.7 (6)
O4X—K1—O3—C2551.1 (4)O5X—K1—O7—C34160.1 (6)
O5X—K1—O3—C25109.9 (4)O8—K1—O7—C342.1 (5)
O8—K1—O3—C25117.9 (4)O6X—K1—O7—C33100.2 (5)
O6X—K1—O3—C2619.3 (4)O6—K1—O7—C33109.9 (4)
O6—K1—O3—C268.4 (4)O2—K1—O7—C3369.7 (4)
O2—K1—O3—C26157.5 (4)O4—K1—O7—C339.4 (4)
O4—K1—O3—C26128.0 (4)O9—K1—O7—C33172.8 (3)
O9—K1—O3—C2675.4 (4)O5—K1—O7—C3348.3 (4)
O5—K1—O3—C2670.2 (4)O3—K1—O7—C3377.9 (4)
O7—K1—O3—C2641.4 (5)O1—K1—O7—C3384.2 (4)
O1—K1—O3—C26158.7 (4)O4X—K1—O7—C3316.7 (4)
O4X—K1—O3—C26138.3 (4)O5X—K1—O7—C3337.4 (4)
O5X—K1—O3—C2679.4 (4)O8—K1—O7—C33164.5 (4)
O8—K1—O3—C2652.7 (4)O6X—K1—O8—C3690.9 (5)
C21—O1—C22—C23171.8 (5)O6—K1—O8—C3681.0 (4)
K1—O1—C22—C2350.7 (5)O2—K1—O8—C3650.5 (4)
C24—O2—C23—C22171.7 (5)O4—K1—O8—C36156.3 (3)
K1—O2—C23—C2232.8 (6)O9—K1—O8—C364.8 (3)
O1—C22—C23—O257.0 (7)O5—K1—O8—C36128.7 (3)
C23—O2—C24—C25165.8 (5)O7—K1—O8—C36165.9 (4)
K1—O2—C24—C2553.1 (7)O3—K1—O8—C3622.6 (4)
C26—O3—C25—C24176.3 (5)O1—K1—O8—C3697.6 (4)
K1—O3—C25—C245.0 (7)O4X—K1—O8—C36140.6 (5)
O2—C24—C25—O340.4 (8)O5X—K1—O8—C36141.0 (4)
O6X—K1—O4—C27153.2 (11)O6X—K1—O8—C3561.1 (5)
O6—K1—O4—C27157.7 (10)O6—K1—O8—C3571.0 (4)
O2—K1—O4—C2773.9 (10)O2—K1—O8—C35157.4 (3)
O9—K1—O4—C2761.4 (11)O4—K1—O8—C3551.6 (4)
O5—K1—O4—C27151.7 (10)O9—K1—O8—C35156.8 (4)
O7—K1—O4—C2779.2 (10)O5—K1—O8—C3523.3 (4)
O3—K1—O4—C27130.2 (10)O7—K1—O8—C3513.9 (3)
O1—K1—O4—C2712.4 (10)O3—K1—O8—C35129.4 (3)
O4X—K1—O4—C2758 (2)O1—K1—O8—C35110.4 (4)
O5X—K1—O4—C27146.0 (11)O4X—K1—O8—C3567.4 (5)
O8—K1—O4—C2749.0 (10)O5X—K1—O8—C3511.0 (5)
O6X—K1—O4—C281.7 (7)O6X—K1—O9—C3799.7 (6)
O6—K1—O4—C282.8 (6)O6—K1—O9—C37101.2 (4)
O2—K1—O4—C28131.2 (6)O2—K1—O9—C37125.3 (4)
O9—K1—O4—C28143.7 (5)O4—K1—O9—C37112.9 (5)
O5—K1—O4—C283.2 (5)O5—K1—O9—C37114.6 (5)
O7—K1—O4—C2875.7 (5)O7—K1—O9—C3724.3 (5)
O3—K1—O4—C2874.8 (5)O3—K1—O9—C37176.3 (4)
O1—K1—O4—C28167.4 (6)O1—K1—O9—C3766.1 (4)
O4X—K1—O4—C28147 (2)O4X—K1—O9—C37111.9 (7)
O5X—K1—O4—C289.0 (6)O5X—K1—O9—C37113.6 (8)
O8—K1—O4—C28106.0 (6)O8—K1—O9—C3716.1 (4)
O6X—K1—O5—C3015.3 (7)O6X—K1—O9—C38109.6 (5)
O6—K1—O5—C3011.1 (6)O6—K1—O9—C38108.2 (3)
O2—K1—O5—C30110.9 (6)O2—K1—O9—C3825.3 (3)
O4—K1—O5—C30162.9 (6)O4—K1—O9—C3837.7 (5)
O9—K1—O5—C304.2 (7)O5—K1—O9—C3894.8 (4)
O7—K1—O5—C3099.5 (6)O7—K1—O9—C38174.9 (3)
O3—K1—O5—C3066.2 (6)O3—K1—O9—C3833.1 (3)
O1—K1—O5—C30176.7 (5)O1—K1—O9—C3884.5 (3)
O4X—K1—O5—C30157.1 (7)O4X—K1—O9—C3838.7 (6)
O5X—K1—O5—C30173 (2)O5X—K1—O9—C3895.8 (7)
O8—K1—O5—C3068.3 (6)O8—K1—O9—C38166.7 (4)
O6X—K1—O5—C29145.2 (7)C33—O7—C34—C35179.6 (5)
O6—K1—O5—C29141.0 (5)K1—O7—C34—C3518.0 (9)
O2—K1—O5—C2919.0 (5)C36—O8—C35—C34179.6 (6)
O4—K1—O5—C2933.0 (4)K1—O8—C35—C3428.5 (6)
O9—K1—O5—C29125.7 (4)O7—C34—C35—O831.5 (9)
O7—K1—O5—C29130.6 (5)C35—O8—C36—C37174.5 (5)
O3—K1—O5—C2963.7 (4)K1—O8—C36—C3723.4 (6)
O1—K1—O5—C2953.4 (5)C38—O9—C37—C36173.5 (5)
O4X—K1—O5—C2927.1 (5)K1—O9—C37—C3636.4 (7)
O5X—K1—O5—C2956.9 (19)O8—C36—C37—O940.0 (8)
O8—K1—O5—C29161.8 (4)
C—C bond lengths and bowl depths in C20H12-, C20H10 and C20H10- (in Å) top
C20H12-*C20H10C20H10-
Hub1.391 (6)–1.430 (5)1.411 (2)–1.417 (2)1.389 (5)–1.425 (5)
Rim1.390 (6)–1.421 (6)1.377 (2)–1.387 (2)1.396 (6)–1.453 (6)
Spoke1.382 (6)–1.412 (5)1.376 (2)–1.381 (2)1.392 (5)–1.417 (5)
Flank1.407 (6)–1.447 (6)1.441 (2)–1.450 (2)1.388 (5)–1.462 (5)
Bowl depth0.834 (6)0.875 (2)0.841 (5)
Note: (*) average for nonhydrogenated A and B rings
 

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