Structure of mono-acid even-numbered β-triacylglycerols

Langevelde, A.J. van; Malssen, K.F. van; Hollander, F.F.A.; Peschar, R.; Schenk, H.

doi:10.1107/S0108768198009392

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Structure of mono-acid even-numbered β-triacylglycerols

A. van Langevelde, K. van Malssen, F. Hollander, R. Peschar and H. Schenk

The crystal structure of the β polymorph of tripalmitin (1,2,3-trihexadecanoylglycerol, β-PPP) has been determined by single-crystal X-ray diffraction. The molecules crystallize in space group P1 in an asymmetric tuning-fork conformation. This structure and the already-known crystal structures of β-tricaprin (β-CCC) and β-trilaurin (β-LLL) could be matched in an overlap model. Apart from a difference in chain length, the three structures are almost identical. The overlap model can be used to predict the crystal structure of the other members of the C_nC_nC_n-type (n = even) TAG series reasonably accurately. This is demonstrated by predicting the crystal structure for β-trimyristin (β-MMM) and successively comparing the experimental and calculated X-ray powder diagrams.

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Supporting information

	Crystallographic Information File (CIF) Contains datablock B-PPP
	Structure factor file (SHELXL table format) Supplementary material

CCDC reference: 131755

Computing details top

Data collection: CAD-4 Software (Enraf-Nonius, 1989); cell refinement: Local program CELCON; data reduction: xtal_ADDREF (Hall et al., 1995); program(s) used to solve structure: CRUNCH (de Gelder et al., 1993); program(s) used to refine structure: xtal_CRYLSQ (Hall et al., 1995); molecular graphics: xtal_ORTEP (Hall et al., 1995); software used to prepare material for publication: xtal_BONDLA_CIFIO (Hall et al., 1995).

Figures top

1,2,3-trihexadecanoyl-glycerol top

Crystal data top

C₅₁H₉₈O₆	Z = 2
M_r = 807.33	F(000) = 904
Triclinic, P1	D_x = 1.039 Mg m⁻³
Hall symbol: -P 1	Melting point: 339 K
a = 5.4514 (8) Å	Cu Kα radiation, λ = 1.5418 Å
b = 11.945 (1) Å	Cell parameters from 23 reflections
c = 40.482 (3) Å	θ = 39–41.5°
α = 84.662 (7)°	µ = 0.5 mm⁻¹
β = 86.97 (1)°	T = 243 K
γ = 79.77 (1)°	Plank shaped, white
V = 2581.1 (5) Å³	0.90 × 0.18 × 0.08 mm

Data collection top

Enraf-Nonius CAD-4 diffractometer	θ_max = 74.9°, θ_min = 2.2°
Radiation source: xray tube	h = −6→4
Graphite monochromator	k = −14→14
ω/2θ scans	l = −50→50
10591 measured reflections	2 standard reflections every 60 min
0.105910+05 independent reflections	intensity decay: 15%
4491 reflections with Inet > 2.5σ(Inet₎

Refinement top

Refinement on F	98 restraints
Least-squares matrix: full	0 constraints
R[F² > 2σ(F²)] = 0.078	H-atom x,y,z,U refined, restrained at 0.96 Å
wR(F²) = 0.1	w = 1/(10 + 0.01*(σF_o)² + 0.001/(σF_o))
S = 0.70	(Δ/σ)_max = 0.012
4491 reflections	Δρ_max = 0.41 e Å⁻³
909 parameters	Δρ_min = −0.46 e Å⁻³

Crystal data top

C₅₁H₉₈O₆	γ = 79.77 (1)°
M_r = 807.33	V = 2581.1 (5) Å³
Triclinic, P1	Z = 2
a = 5.4514 (8) Å	Cu Kα radiation
b = 11.945 (1) Å	µ = 0.5 mm⁻¹
c = 40.482 (3) Å	T = 243 K
α = 84.662 (7)°	0.90 × 0.18 × 0.08 mm
β = 86.97 (1)°

Data collection top

Enraf-Nonius CAD-4 diffractometer	4491 reflections with Inet > 2.5σ(Inet₎
10591 measured reflections	2 standard reflections every 60 min
0.105910+05 independent reflections	intensity decay: 15%

Refinement top

R[F² > 2σ(F²)] = 0.078	98 restraints
wR(F²) = 0.1	H-atom x,y,z,U refined, restrained at 0.96 Å
S = 0.70	Δρ_max = 0.41 e Å⁻³
4491 reflections	Δρ_min = −0.46 e Å⁻³
909 parameters

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å²) top

	x	y	z	U_iso*/U_eq
C1	0.3061 (11)	0.4096 (5)	0.98145 (16)	0.037 (4)
C2	0.4352 (10)	0.3173 (5)	1.00549 (14)	0.033 (4)
C3	0.5551 (10)	0.2092 (5)	0.98965 (14)	0.035 (4)
O1a	0.4871 (7)	0.4338 (3)	0.95602 (10)	0.038 (3)
C1a	0.4069 (10)	0.4690 (5)	0.92541 (15)	0.034 (4)
O2a	0.1876 (7)	0.4891 (4)	0.92015 (11)	0.063 (4)
C2a	0.6137 (11)	0.4812 (6)	0.90063 (17)	0.039 (4)
C3a	0.5318 (11)	0.5633 (6)	0.87052 (15)	0.035 (4)
C4a	0.7422 (11)	0.5716 (6)	0.84474 (17)	0.039 (5)
C5a	0.6671 (12)	0.6600 (6)	0.81605 (17)	0.040 (5)
C6a	0.8705 (12)	0.6706 (6)	0.78952 (16)	0.039 (4)
C7a	0.7941 (11)	0.7610 (6)	0.76141 (16)	0.041 (5)
C8a	0.9929 (12)	0.7715 (6)	0.73459 (17)	0.041 (5)
C9a	0.9174 (12)	0.8628 (6)	0.70649 (17)	0.043 (5)
C10a	1.1160 (12)	0.8726 (6)	0.67930 (17)	0.043 (5)
C11a	1.0402 (12)	0.9628 (6)	0.65132 (17)	0.044 (5)
C12a	1.2390 (12)	0.9721 (6)	0.62394 (17)	0.044 (5)
C13a	1.1600 (13)	1.0608 (7)	0.59556 (18)	0.049 (5)
C14a	1.3620 (13)	1.0706 (7)	0.56885 (18)	0.049 (5)
C15a	1.2852 (17)	1.1569 (9)	0.5401 (2)	0.072 (7)
C16a	1.490 (2)	1.1688 (11)	0.5141 (2)	0.082 (9)
O1b	0.2413 (6)	0.2916 (3)	1.02907 (9)	0.034 (3)
C1b	0.3136 (10)	0.2504 (4)	1.06000 (13)	0.030 (4)
O2b	0.5276 (6)	0.2365 (4)	1.06743 (10)	0.046 (3)
C2b	0.1009 (11)	0.2246 (6)	1.08184 (16)	0.038 (4)
C3b	0.1762 (11)	0.1417 (6)	1.11169 (15)	0.035 (4)
C4b	−0.0359 (11)	0.1299 (6)	1.13698 (15)	0.036 (4)
C5b	0.0389 (11)	0.0403 (6)	1.16551 (16)	0.038 (4)
C6b	−0.1658 (12)	0.0295 (6)	1.19207 (16)	0.039 (5)
C7b	−0.0892 (12)	−0.0614 (6)	1.22014 (16)	0.040 (5)
C8b	−0.2886 (12)	−0.0717 (6)	1.24701 (16)	0.041 (5)
C9b	−0.2114 (12)	−0.1620 (6)	1.27501 (17)	0.042 (5)
C10b	−0.4102 (12)	−0.1717 (6)	1.30226 (17)	0.042 (5)
C11b	−0.3320 (12)	−0.2621 (6)	1.33050 (17)	0.044 (5)
C12b	−0.5295 (12)	−0.2725 (6)	1.35746 (17)	0.045 (5)
C13b	−0.4493 (13)	−0.3627 (6)	1.38546 (17)	0.046 (5)
C14b	−0.6465 (13)	−0.3746 (7)	1.41265 (17)	0.047 (5)
C15b	−0.5659 (15)	−0.4641 (7)	1.44061 (19)	0.057 (6)
C16b	−0.7661 (18)	−0.4745 (9)	1.4676 (2)	0.069 (7)
O1c	0.3667 (7)	0.1792 (3)	0.96935 (10)	0.042 (3)
C1c	0.4272 (10)	0.0787 (5)	0.95592 (14)	0.034 (4)
O2c	0.6228 (7)	0.0151 (4)	0.95909 (11)	0.050 (3)
C2c	0.2141 (10)	0.0561 (6)	0.93600 (16)	0.039 (4)
C3c	0.1296 (11)	0.1529 (6)	0.90963 (17)	0.041 (5)
C4c	0.3290 (12)	0.1690 (6)	0.88321 (17)	0.042 (5)
C5c	0.2475 (12)	0.2598 (6)	0.85524 (17)	0.042 (5)
C6c	0.4468 (12)	0.2721 (6)	0.82840 (17)	0.044 (5)
C7c	0.3709 (12)	0.3606 (6)	0.79987 (17)	0.043 (5)
C8c	0.5707 (12)	0.3698 (6)	0.77302 (17)	0.043 (5)
C9c	0.4951 (12)	0.4590 (6)	0.74445 (17)	0.043 (5)
C10c	0.6933 (13)	0.4689 (6)	0.71748 (17)	0.045 (5)
C11c	0.6192 (12)	0.5591 (6)	0.68925 (17)	0.044 (5)
C12c	0.8152 (12)	0.5696 (7)	0.66218 (18)	0.046 (5)
C13c	0.7376 (12)	0.6612 (6)	0.63434 (17)	0.045 (5)
C14c	0.9330 (13)	0.6718 (6)	0.60709 (18)	0.047 (5)
C15c	0.8544 (14)	0.7639 (7)	0.5796 (2)	0.058 (6)
C16c	1.0492 (19)	0.7754 (10)	0.5521 (2)	0.074 (8)
H11	0.241 (7)	0.474 (2)	0.9940 (8)	0.002 (10)*
H12	0.175 (9)	0.393 (6)	0.9688 (15)	0.08 (3)*
H2	0.566 (8)	0.333 (5)	1.0185 (13)	0.06 (2)*
H31	0.576 (9)	0.151 (3)	1.0080 (9)	0.033 (15)*
H32	0.694 (6)	0.220 (4)	0.9747 (9)	0.027 (14)*
H21a	0.725 (13)	0.507 (7)	0.9147 (18)	0.12 (4)*
H22a	0.668 (12)	0.406 (2)	0.8932 (15)	0.06 (2)*
H31a	0.462 (9)	0.635 (2)	0.8792 (12)	0.029 (15)*
H32a	0.399 (10)	0.540 (7)	0.8596 (18)	0.11 (3)*
H41a	0.865 (11)	0.597 (6)	0.8571 (17)	0.10 (3)*
H42a	0.810 (11)	0.501 (3)	0.8355 (15)	0.06 (2)*
H51a	0.528 (9)	0.646 (6)	0.8045 (16)	0.09 (3)*
H52a	0.605 (10)	0.729 (3)	0.8263 (13)	0.047 (19)*
H61a	0.931 (11)	0.600 (3)	0.7796 (14)	0.06 (2)*
H62a	1.005 (10)	0.692 (7)	0.8004 (18)	0.10 (3)*
H71a	0.733 (12)	0.831 (3)	0.7714 (15)	0.07 (2)*
H72a	0.649 (8)	0.749 (6)	0.7507 (16)	0.08 (3)*
H91a	0.779 (9)	0.846 (6)	0.6952 (16)	0.08 (3)*
H92a	0.864 (13)	0.932 (4)	0.7173 (17)	0.09 (3)*
H81a	1.048 (10)	0.702 (3)	0.7239 (13)	0.046 (18)*
H82a	1.137 (9)	0.790 (7)	0.744 (2)	0.11 (3)*
H101a	1.258 (9)	0.886 (6)	0.6904 (16)	0.08 (3)*
H102a	1.177 (10)	0.804 (3)	0.6685 (13)	0.045 (18)*
H111a	0.886 (6)	0.955 (5)	0.6422 (14)	0.06 (2)*
H112a	0.980 (12)	1.032 (3)	0.6618 (15)	0.07 (2)*
H121a	1.372 (11)	0.994 (7)	0.6352 (18)	0.11 (3)*
H122a	1.294 (11)	0.900 (3)	0.6148 (14)	0.06 (2)*
H131a	1.103 (13)	1.130 (3)	0.6063 (16)	0.08 (3)*
H132a	1.027 (10)	1.040 (6)	0.5842 (17)	0.09 (3)*
H141a	1.492 (12)	1.094 (7)	0.580 (2)	0.13 (4)*
H142a	1.424 (13)	1.001 (3)	0.5589 (16)	0.08 (3)*
H151a	1.167 (17)	1.127 (9)	0.528 (2)	0.18 (6)*
H152a	1.195 (15)	1.219 (5)	0.552 (2)	0.11 (4)*
H161a	1.437 (15)	1.216 (6)	0.4943 (13)	0.10 (3)*
H162a	1.614 (14)	1.197 (8)	0.526 (2)	0.13 (4)*
H163a	1.569 (18)	1.104 (5)	0.503 (2)	0.14 (5)*
H21b	0.016 (9)	0.294 (3)	1.0906 (13)	0.041 (17)*
H22b	0.000 (13)	0.194 (7)	1.0673 (16)	0.11 (3)*
H31b	0.253 (10)	0.071 (3)	1.1029 (14)	0.06 (2)*
H32b	0.304 (10)	0.168 (6)	1.1228 (16)	0.09 (3)*
H41b	−0.163 (11)	0.109 (7)	1.1245 (18)	0.11 (3)*
H42b	−0.103 (12)	0.200 (3)	1.1468 (16)	0.08 (2)*
H51b	0.108 (11)	−0.028 (3)	1.1552 (14)	0.06 (2)*
H52b	0.176 (12)	0.057 (9)	1.177 (2)	0.16 (4)*
H61b	−0.226 (11)	0.099 (3)	1.2023 (14)	0.06 (2)*
H62b	−0.290 (12)	0.004 (7)	1.1802 (18)	0.11 (3)*
H71b	−0.032 (10)	−0.131 (3)	1.2100 (13)	0.045 (18)*
H72b	0.059 (8)	−0.048 (7)	1.2298 (18)	0.10 (3)*
H81b	−0.351 (11)	−0.003 (3)	1.2574 (14)	0.05 (2)*
H82b	−0.428 (8)	−0.088 (6)	1.2359 (15)	0.07 (2)*
H91b	−0.154 (12)	−0.230 (3)	1.2640 (14)	0.06 (2)*
H92b	−0.061 (8)	−0.150 (6)	1.2844 (17)	0.09 (3)*
H101b	−0.466 (12)	−0.103 (3)	1.3129 (15)	0.07 (2)*
H102b	−0.544 (11)	−0.194 (7)	1.291 (2)	0.12 (4)*
H111b	−0.189 (8)	−0.245 (6)	1.3405 (16)	0.08 (3)*
H112b	−0.276 (10)	−0.329 (3)	1.3188 (12)	0.041 (17)*
H121b	−0.596 (10)	−0.205 (3)	1.3683 (13)	0.048 (19)*
H122b	−0.662 (11)	−0.294 (7)	1.3461 (18)	0.10 (3)*
H131b	−0.392 (11)	−0.432 (3)	1.3751 (14)	0.06 (2)*
H132b	−0.313 (9)	−0.347 (6)	1.3972 (16)	0.08 (3)*
H141b	−0.784 (9)	−0.394 (6)	1.4019 (17)	0.09 (3)*
H142b	−0.703 (10)	−0.307 (3)	1.4240 (12)	0.039 (17)*
H151b	−0.516 (13)	−0.530 (4)	1.4285 (15)	0.08 (3)*
H152b	−0.439 (12)	−0.446 (7)	1.4538 (19)	0.12 (4)*
H161b	−0.823 (17)	−0.405 (4)	1.478 (2)	0.12 (4)*
H162b	−0.910 (14)	−0.497 (10)	1.459 (3)	0.19 (6)*
H163b	−0.709 (13)	−0.533 (4)	1.4848 (13)	0.08 (2)*
H21c	0.082 (6)	0.046 (4)	0.9521 (9)	0.022 (13)*
H22c	0.296 (10)	−0.004 (4)	0.9227 (13)	0.06 (2)*
H31c	0.063 (10)	0.221 (3)	0.9205 (12)	0.043 (18)*
H32c	−0.000 (9)	0.133 (6)	0.8974 (15)	0.07 (2)*
H41c	0.465 (8)	0.187 (5)	0.8948 (14)	0.06 (2)*
H42c	0.403 (10)	0.100 (3)	0.8732 (13)	0.045 (18)*
H51c	0.102 (9)	0.249 (7)	0.8445 (17)	0.10 (3)*
H52c	0.192 (10)	0.328 (3)	0.8664 (13)	0.048 (19)*
H61c	0.514 (10)	0.202 (3)	0.8189 (13)	0.044 (18)*
H62c	0.579 (10)	0.293 (6)	0.8400 (17)	0.09 (3)*
H71c	0.307 (11)	0.428 (3)	0.8108 (14)	0.06 (2)*
H72c	0.225 (7)	0.349 (5)	0.7893 (14)	0.06 (2)*
H81c	0.713 (9)	0.386 (6)	0.7834 (16)	0.08 (3)*
H82c	0.630 (12)	0.299 (3)	0.7635 (15)	0.07 (2)*
H91c	0.439 (12)	0.529 (3)	0.7549 (15)	0.07 (2)*
H92c	0.341 (8)	0.450 (7)	0.7355 (18)	0.10 (3)*
H101c	0.838 (9)	0.484 (7)	0.7278 (18)	0.10 (3)*
H102c	0.757 (11)	0.400 (3)	0.7070 (14)	0.06 (2)*
H111c	0.570 (10)	0.627 (3)	0.7007 (12)	0.042 (18)*
H112c	0.469 (7)	0.547 (6)	0.6800 (16)	0.07 (2)*
H121c	0.958 (9)	0.585 (6)	0.6727 (17)	0.09 (3)*
H122c	0.878 (12)	0.500 (3)	0.6522 (15)	0.07 (2)*
H131c	0.605 (10)	0.642 (6)	0.6224 (17)	0.09 (3)*
H132c	0.682 (12)	0.729 (3)	0.6456 (15)	0.07 (2)*
H141c	0.998 (10)	0.603 (3)	0.5967 (12)	0.040 (17)*
H142c	1.072 (10)	0.688 (7)	0.6183 (19)	0.11 (3)*
H151c	0.709 (9)	0.751 (7)	0.5692 (18)	0.10 (3)*
H152c	0.791 (13)	0.829 (4)	0.5915 (15)	0.08 (3)*
H161c	0.988 (13)	0.833 (5)	0.5348 (13)	0.08 (3)*
H162c	1.197 (9)	0.787 (7)	0.5622 (18)	0.09 (3)*
H163c	1.101 (16)	0.713 (5)	0.5384 (19)	0.11 (4)*

Atomic displacement parameters (Å²) top

	U¹¹	U²²	U³³	U¹²	U¹³	U²³
C1	0.033 (3)	0.037 (4)	0.037 (4)	−0.003 (3)	0.008 (3)	−0.001 (3)
C2	0.026 (3)	0.043 (4)	0.029 (3)	−0.008 (3)	0.007 (3)	0.002 (3)
C3	0.024 (3)	0.053 (4)	0.030 (3)	−0.008 (3)	0.002 (2)	−0.002 (3)
O1a	0.025 (2)	0.054 (3)	0.035 (2)	−0.0121 (18)	0.0001 (17)	0.013 (2)
C1a	0.028 (3)	0.033 (3)	0.038 (4)	−0.001 (3)	0.002 (3)	0.004 (3)
O2a	0.021 (2)	0.107 (4)	0.055 (3)	−0.009 (2)	−0.003 (2)	0.026 (3)
C2a	0.026 (3)	0.048 (4)	0.038 (4)	−0.000 (3)	0.003 (3)	0.009 (3)
C3a	0.028 (3)	0.043 (4)	0.030 (3)	−0.000 (3)	0.002 (3)	0.003 (3)
C4a	0.032 (3)	0.046 (4)	0.037 (4)	−0.003 (3)	0.002 (3)	0.004 (3)
C5a	0.034 (3)	0.046 (4)	0.038 (4)	−0.005 (3)	0.004 (3)	0.002 (3)
C6a	0.033 (3)	0.048 (4)	0.033 (4)	−0.005 (3)	0.007 (3)	0.004 (3)
C7a	0.030 (3)	0.055 (4)	0.034 (4)	−0.004 (3)	0.005 (3)	0.006 (3)
C8a	0.034 (3)	0.046 (4)	0.039 (4)	−0.006 (3)	0.007 (3)	0.003 (3)
C9a	0.035 (3)	0.052 (4)	0.037 (4)	−0.005 (3)	0.004 (3)	0.007 (3)
C10a	0.034 (4)	0.053 (4)	0.039 (4)	−0.004 (3)	0.006 (3)	0.004 (3)
C11a	0.035 (4)	0.054 (4)	0.036 (4)	−0.001 (3)	0.004 (3)	0.006 (3)
C12a	0.038 (4)	0.056 (5)	0.035 (4)	−0.006 (3)	0.010 (3)	0.007 (3)
C13a	0.045 (4)	0.059 (5)	0.039 (4)	−0.005 (4)	0.006 (3)	0.010 (4)
C14a	0.048 (4)	0.061 (5)	0.037 (4)	−0.010 (4)	0.008 (3)	0.007 (4)
C15a	0.069 (6)	0.094 (7)	0.047 (5)	−0.020 (5)	0.012 (4)	0.019 (5)
C16a	0.096 (7)	0.108 (9)	0.048 (5)	−0.045 (7)	0.008 (5)	0.010 (6)
O1b	0.027 (2)	0.047 (3)	0.026 (2)	−0.0090 (18)	0.0031 (16)	0.0036 (18)
C1b	0.030 (3)	0.030 (3)	0.027 (3)	−0.004 (2)	0.003 (2)	0.003 (2)
O2b	0.016 (2)	0.078 (3)	0.043 (3)	−0.015 (2)	−0.0024 (17)	0.004 (2)
C2b	0.023 (3)	0.054 (4)	0.035 (4)	−0.004 (3)	0.007 (3)	0.003 (3)
C3b	0.024 (3)	0.049 (4)	0.031 (3)	−0.005 (3)	0.008 (3)	−0.001 (3)
C4b	0.027 (3)	0.049 (4)	0.030 (3)	−0.005 (3)	0.008 (3)	−0.002 (3)
C5b	0.028 (3)	0.045 (4)	0.036 (4)	−0.001 (3)	0.007 (3)	0.004 (3)
C6b	0.032 (3)	0.050 (4)	0.031 (4)	−0.004 (3)	0.010 (3)	0.003 (3)
C7b	0.037 (4)	0.043 (4)	0.035 (4)	−0.003 (3)	0.004 (3)	0.005 (3)
C8b	0.031 (3)	0.053 (4)	0.035 (4)	−0.004 (3)	0.007 (3)	0.004 (3)
C9b	0.033 (3)	0.051 (4)	0.039 (4)	−0.004 (3)	0.005 (3)	0.005 (3)
C10b	0.037 (4)	0.048 (4)	0.037 (4)	−0.005 (3)	0.004 (3)	0.003 (3)
C11b	0.038 (4)	0.052 (4)	0.039 (4)	−0.004 (3)	0.004 (3)	0.001 (3)
C12b	0.037 (4)	0.056 (5)	0.037 (4)	−0.003 (3)	0.007 (3)	0.007 (3)
C13b	0.039 (4)	0.058 (5)	0.036 (4)	−0.005 (3)	0.005 (3)	0.007 (3)
C14b	0.044 (4)	0.058 (5)	0.037 (4)	−0.007 (3)	0.006 (3)	0.002 (3)
C15b	0.064 (5)	0.065 (5)	0.039 (4)	−0.013 (4)	−0.000 (4)	0.013 (4)
C16b	0.066 (6)	0.087 (7)	0.050 (5)	−0.022 (5)	0.014 (4)	0.017 (5)
O1c	0.033 (2)	0.045 (2)	0.047 (3)	0.0029 (18)	−0.0110 (18)	−0.016 (2)
C1c	0.027 (3)	0.042 (3)	0.031 (3)	−0.006 (3)	0.009 (2)	0.001 (3)
O2c	0.030 (2)	0.046 (3)	0.073 (3)	0.0011 (19)	−0.003 (2)	−0.020 (2)
C2c	0.024 (3)	0.051 (4)	0.040 (4)	−0.008 (3)	0.003 (3)	0.000 (3)
C3c	0.027 (3)	0.052 (4)	0.042 (4)	−0.007 (3)	−0.004 (3)	−0.003 (3)
C4c	0.033 (3)	0.048 (4)	0.041 (4)	−0.001 (3)	0.002 (3)	0.002 (3)
C5c	0.033 (3)	0.047 (4)	0.042 (4)	−0.001 (3)	0.002 (3)	−0.001 (3)
C6c	0.035 (4)	0.052 (4)	0.042 (4)	−0.001 (3)	0.004 (3)	0.000 (3)
C7c	0.031 (3)	0.052 (4)	0.041 (4)	−0.001 (3)	0.001 (3)	0.002 (3)
C8c	0.032 (3)	0.051 (4)	0.042 (4)	−0.001 (3)	0.003 (3)	0.002 (3)
C9c	0.036 (4)	0.051 (4)	0.040 (4)	−0.005 (3)	0.006 (3)	0.003 (3)
C10c	0.042 (4)	0.048 (4)	0.042 (4)	−0.003 (3)	−0.001 (3)	0.001 (3)
C11c	0.036 (4)	0.050 (4)	0.043 (4)	−0.004 (3)	0.003 (3)	−0.001 (3)
C12c	0.035 (4)	0.058 (5)	0.040 (4)	−0.004 (3)	0.002 (3)	0.005 (3)
C13c	0.036 (4)	0.058 (5)	0.039 (4)	−0.005 (3)	0.008 (3)	0.001 (3)
C14c	0.045 (4)	0.051 (5)	0.043 (4)	−0.005 (3)	0.003 (3)	0.002 (3)
C15c	0.047 (4)	0.073 (6)	0.048 (5)	−0.009 (4)	0.009 (4)	0.010 (4)
C16c	0.073 (6)	0.099 (8)	0.050 (5)	−0.025 (6)	0.005 (5)	0.007 (5)

Geometric parameters (Å, º) top

C1—H12	0.96 (6)	C7b—H71b	0.96 (4)
C1—H11	0.96 (3)	C7b—C8b	1.509 (9)
C1—O1a	1.433 (7)	C8b—H82b	0.96 (6)
C1—C2	1.502 (8)	C8b—H81b	0.96 (4)
C2—H2	0.96 (6)	C8b—C9b	1.512 (9)
C2—O1b	1.441 (7)	C9b—H92b	0.96 (6)
C2—C3	1.522 (8)	C9b—H91b	0.96 (5)
C3—H32	0.96 (4)	C9b—C10b	1.516 (9)
C3—H31	0.97 (4)	C10b—H101b	0.96 (5)
C3—O1c	1.460 (7)	C10b—H102b	0.96 (8)
O1a—C1a	1.341 (7)	C10b—C11b	1.521 (9)
C1a—O2a	1.203 (7)	C11b—H111b	0.96 (6)
C1a—C2a	1.487 (8)	C11b—H112b	0.96 (4)
C2a—H21a	0.96 (8)	C11b—C12b	1.504 (9)
C2a—H22a	0.96 (4)	C12b—H121b	0.96 (4)
C2a—C3a	1.525 (9)	C12b—H122b	0.96 (7)
C3a—H32a	0.96 (7)	C12b—C13b	1.514 (10)
C3a—H31a	0.96 (3)	C13b—H132b	0.96 (6)
C3a—C4a	1.520 (9)	C13b—H131b	0.96 (4)
C4a—H41a	0.96 (7)	C13b—C14b	1.513 (10)
C4a—H42a	0.96 (4)	C14b—H142b	0.96 (4)
C4a—C5a	1.516 (9)	C14b—H141b	0.96 (6)
C5a—H51a	0.96 (6)	C14b—C15b	1.510 (10)
C5a—H52a	0.96 (4)	C15b—H152b	0.96 (8)
C5a—C6a	1.516 (9)	C15b—H151b	0.96 (5)
C6a—H62a	0.96 (7)	C15b—C16b	1.515 (12)
C6a—H61a	0.96 (4)	C16b—H162b	0.96 (10)
C6a—C7a	1.515 (9)	C16b—H161b	0.96 (6)
C7a—H72a	0.96 (6)	C16b—H163b	0.96 (5)
C7a—H71a	0.96 (4)	O1c—C1c	1.345 (7)
C7a—C8a	1.506 (9)	C1c—O2c	1.199 (6)
C8a—H81a	0.96 (4)	C1c—C2c	1.524 (9)
C8a—H82a	0.96 (7)	C2c—H21c	0.96 (3)
C8a—C9a	1.521 (9)	C2c—H22c	0.96 (5)
C9a—H91a	0.96 (6)	C2c—C3c	1.524 (9)
C9a—H92a	0.96 (5)	C3c—H32c	0.96 (6)
C9a—C10a	1.514 (9)	C3c—H31c	0.97 (4)
C10a—H102a	0.96 (4)	C3c—C4c	1.509 (9)
C10a—H101a	0.96 (6)	C4c—H41c	0.96 (5)
C10a—C11a	1.510 (9)	C4c—H42c	0.96 (4)
C11a—H111a	0.96 (4)	C4c—C5c	1.520 (9)
C11a—H112a	0.96 (5)	C5c—H51c	0.96 (6)
C11a—C12a	1.519 (9)	C5c—H52c	0.96 (4)
C12a—H122a	0.96 (4)	C5c—C6c	1.511 (9)
C12a—H121a	0.96 (7)	C6c—H62c	0.96 (7)
C12a—C13a	1.514 (10)	C6c—H61c	0.96 (4)
C13a—H132a	0.96 (7)	C6c—C7c	1.513 (9)
C13a—H131a	0.96 (5)	C7c—H72c	0.96 (5)
C13a—C14a	1.514 (10)	C7c—H71c	0.96 (4)
C14a—H142a	0.96 (5)	C7c—C8c	1.508 (9)
C14a—H141a	0.96 (8)	C8c—H81c	0.96 (6)
C14a—C15a	1.505 (11)	C8c—H82c	0.96 (4)
C15a—H151a	0.96 (11)	C8c—C9c	1.520 (9)
C15a—H152a	0.96 (7)	C9c—H92c	0.96 (6)
C15a—C16a	1.511 (14)	C9c—H91c	0.96 (4)
C16a—H162a	0.96 (9)	C9c—C10c	1.507 (10)
C16a—H161a	0.96 (6)	C10c—H101c	0.96 (6)
C16a—H163a	0.96 (8)	C10c—H102c	0.96 (4)
O1b—C1b	1.354 (6)	C10c—C11c	1.515 (9)
C1b—O2b	1.200 (6)	C11c—H112c	0.96 (5)
C1b—C2b	1.480 (8)	C11c—H111c	0.96 (4)
C2b—H21b	0.96 (4)	C11c—C12c	1.502 (10)
C2b—H22b	0.96 (8)	C12c—H122c	0.96 (5)
C2b—C3b	1.515 (9)	C12c—H121c	0.96 (6)
C3b—H32b	0.96 (7)	C12c—C13c	1.518 (10)
C3b—H31b	0.96 (4)	C13c—H131c	0.96 (7)
C3b—C4b	1.520 (8)	C13c—H132c	0.96 (5)
C4b—H41b	0.96 (7)	C13c—C14c	1.505 (10)
C4b—H42b	0.96 (5)	C14c—H141c	0.96 (4)
C4b—C5b	1.520 (9)	C14c—H142c	0.96 (7)
C5b—H52b	0.96 (8)	C14c—C15c	1.513 (10)
C5b—H51b	0.96 (4)	C15c—H151c	0.96 (6)
C5b—C6b	1.522 (9)	C15c—H152c	0.96 (5)
C6b—H62b	0.96 (8)	C15c—C16c	1.509 (12)
C6b—H61b	0.96 (4)	C16c—H162c	0.96 (6)
C6b—C7b	1.518 (9)	C16c—H163c	0.96 (7)
C7b—H72b	0.96 (6)	C16c—H161c	0.96 (5)

H12—C1—H11	109 (4)	H71b—C7b—C6b	106 (3)
H12—C1—O1a	102 (3)	C8b—C7b—C6b	114.5 (5)
H12—C1—C2	119 (4)	H82b—C8b—H81b	105 (5)
H11—C1—O1a	114 (2)	H82b—C8b—C7b	105 (3)
H11—C1—C2	107 (2)	H82b—C8b—C9b	111 (4)
O1a—C1—C2	107.2 (4)	H81b—C8b—C7b	115 (3)
H2—C2—O1b	106 (3)	H81b—C8b—C9b	106 (3)
H2—C2—C1	119 (4)	C7b—C8b—C9b	114.4 (5)
H2—C2—C3	104 (3)	H92b—C9b—H91b	102 (6)
O1b—C2—C1	104.7 (4)	H92b—C9b—C8b	110 (4)
O1b—C2—C3	109.4 (5)	H92b—C9b—C10b	110 (4)
C1—C2—C3	114.0 (5)	H91b—C9b—C8b	104 (3)
H32—C3—H31	120 (4)	H91b—C9b—C10b	115 (3)
H32—C3—O1c	106 (2)	C8b—C9b—C10b	114.6 (5)
H32—C3—C2	113 (3)	H101b—C10b—H102b	111 (6)
H31—C3—O1c	105 (3)	H101b—C10b—C9b	114 (4)
H31—C3—C2	104 (2)	H101b—C10b—C11b	105 (3)
O1c—C3—C2	106.7 (4)	H102b—C10b—C9b	104 (4)
C1a—O1a—C1	118.0 (4)	H102b—C10b—C11b	108 (5)
O2a—C1a—O1a	120.8 (5)	C9b—C10b—C11b	114.6 (5)
O2a—C1a—C2a	126.2 (6)	H111b—C11b—H112b	107 (5)
O1a—C1a—C2a	113.0 (5)	H111b—C11b—C12b	108 (4)
H21a—C2a—H22a	116 (6)	H111b—C11b—C10b	109 (4)
H21a—C2a—C1a	99 (4)	H112b—C11b—C12b	116 (3)
H21a—C2a—C3a	115 (5)	H112b—C11b—C10b	102 (3)
H22a—C2a—C1a	105 (4)	C12b—C11b—C10b	114.7 (5)
H22a—C2a—C3a	108 (3)	H121b—C12b—H122b	108 (5)
C1a—C2a—C3a	113.1 (5)	H121b—C12b—C11b	117 (3)
H32a—C3a—H31a	106 (5)	H121b—C12b—C13b	105 (3)
H32a—C3a—C4a	107 (4)	H122b—C12b—C11b	103 (4)
H32a—C3a—C2a	111 (4)	H122b—C12b—C13b	109 (4)
H31a—C3a—C4a	114 (3)	C11b—C12b—C13b	114.2 (5)
H31a—C3a—C2a	106 (3)	H132b—C13b—H131b	108 (5)
C4a—C3a—C2a	112.7 (5)	H132b—C13b—C14b	103 (4)
H41a—C4a—H42a	111 (5)	H132b—C13b—C12b	113 (4)
H41a—C4a—C5a	109 (4)	H131b—C13b—C14b	113 (3)
H41a—C4a—C3a	103 (4)	H131b—C13b—C12b	106 (3)
H42a—C4a—C5a	108 (3)	C14b—C13b—C12b	114.8 (5)
H42a—C4a—C3a	114 (3)	H142b—C14b—H141b	110 (5)
C5a—C4a—C3a	112.8 (5)	H142b—C14b—C15b	103 (3)
H51a—C5a—H52a	104 (5)	H142b—C14b—C13b	115 (3)
H51a—C5a—C4a	113 (4)	H141b—C14b—C15b	109 (4)
H51a—C5a—C6a	105 (4)	H141b—C14b—C13b	105 (4)
H52a—C5a—C4a	105 (3)	C15b—C14b—C13b	114.7 (6)
H52a—C5a—C6a	114 (3)	H152b—C15b—H151b	115 (6)
C4a—C5a—C6a	114.7 (5)	H152b—C15b—C14b	114 (5)
H62a—C6a—H61a	109 (5)	H152b—C15b—C16b	99 (4)
H62a—C6a—C7a	108 (4)	H151b—C15b—C14b	101 (3)
H62a—C6a—C5a	106 (4)	H151b—C15b—C16b	115 (4)
H61a—C6a—C7a	107 (3)	C14b—C15b—C16b	113.9 (7)
H61a—C6a—C5a	113 (3)	H162b—C16b—H161b	107 (8)
C7a—C6a—C5a	114.0 (5)	H162b—C16b—H163b	105 (8)
H72a—C7a—H71a	102 (5)	H162b—C16b—C15b	112 (6)
H72a—C7a—C8a	107 (4)	H161b—C16b—H163b	107 (6)
H72a—C7a—C6a	112 (4)	H161b—C16b—C15b	113 (5)
H71a—C7a—C8a	113 (3)	H163b—C16b—C15b	112 (4)
H71a—C7a—C6a	107 (3)	C1c—O1c—C3	116.0 (4)
C8a—C7a—C6a	114.7 (5)	O2c—C1c—O1c	124.6 (6)
H81a—C8a—H82a	107 (6)	O2c—C1c—C2c	124.3 (6)
H81a—C8a—C7a	113 (3)	O1c—C1c—C2c	111.0 (4)
H81a—C8a—C9a	105 (3)	H21c—C2c—H22c	123 (4)
H82a—C8a—C7a	109 (4)	H21c—C2c—C3c	111 (2)
H82a—C8a—C9a	107 (5)	H21c—C2c—C1c	105 (2)
C7a—C8a—C9a	114.8 (5)	H22c—C2c—C3c	102 (3)
H91a—C9a—H92a	109 (6)	H22c—C2c—C1c	102 (3)
H91a—C9a—C10a	104 (4)	C3c—C2c—C1c	112.6 (6)
H91a—C9a—C8a	111 (4)	H32c—C3c—H31c	109 (5)
H92a—C9a—C10a	114 (4)	H32c—C3c—C4c	103 (3)
H92a—C9a—C8a	105 (4)	H32c—C3c—C2c	109 (4)
C10a—C9a—C8a	114.9 (5)	H31c—C3c—C4c	114 (3)
H102a—C10a—H101a	104 (5)	H31c—C3c—C2c	109 (3)
H102a—C10a—C11a	105 (3)	C4c—C3c—C2c	113.1 (5)
H102a—C10a—C9a	116 (3)	H41c—C4c—H42c	103 (5)
H101a—C10a—C11a	112 (4)	H41c—C4c—C3c	105 (3)
H101a—C10a—C9a	105 (4)	H41c—C4c—C5c	112 (4)
C11a—C10a—C9a	114.9 (5)	H42c—C4c—C3c	114 (3)
H111a—C11a—H112a	98 (5)	H42c—C4c—C5c	107 (3)
H111a—C11a—C10a	112 (4)	C3c—C4c—C5c	114.8 (5)
H111a—C11a—C12a	111 (3)	H51c—C5c—H52c	104 (5)
H112a—C11a—C10a	106 (3)	H51c—C5c—C6c	107 (4)
H112a—C11a—C12a	115 (4)	H51c—C5c—C4c	114 (4)
C10a—C11a—C12a	114.8 (5)	H52c—C5c—C6c	114 (3)
H122a—C12a—H121a	110 (6)	H52c—C5c—C4c	104 (3)
H122a—C12a—C13a	108 (3)	C6c—C5c—C4c	114.1 (5)
H122a—C12a—C11a	111 (3)	H62c—C6c—H61c	107 (5)
H121a—C12a—C13a	109 (5)	H62c—C6c—C5c	104 (4)
H121a—C12a—C11a	103 (4)	H62c—C6c—C7c	110 (4)
C13a—C12a—C11a	114.6 (5)	H61c—C6c—C5c	113 (3)
H132a—C13a—H131a	111 (6)	H61c—C6c—C7c	107 (3)
H132a—C13a—C14a	104 (4)	C5c—C6c—C7c	115.6 (5)
H132a—C13a—C12a	110 (4)	H72c—C7c—H71c	101 (5)
H131a—C13a—C14a	114 (4)	H72c—C7c—C8c	107 (3)
H131a—C13a—C12a	104 (4)	H72c—C7c—C6c	113 (4)
C14a—C13a—C12a	113.9 (6)	H71c—C7c—C8c	117 (3)
H142a—C14a—H141a	110 (6)	H71c—C7c—C6c	103 (3)
H142a—C14a—C15a	105 (4)	C8c—C7c—C6c	114.8 (5)
H142a—C14a—C13a	114 (4)	H81c—C8c—H82c	104 (6)
H141a—C14a—C15a	109 (5)	H81c—C8c—C7c	107 (4)
H141a—C14a—C13a	104 (5)	H81c—C8c—C9c	110 (4)
C15a—C14a—C13a	114.6 (6)	H82c—C8c—C7c	113 (4)
H151a—C15a—H152a	108 (8)	H82c—C8c—C9c	107 (3)
H151a—C15a—C14a	106 (6)	C7c—C8c—C9c	114.8 (5)
H151a—C15a—C16a	103 (6)	H92c—C9c—H91c	100 (6)
H152a—C15a—C14a	101 (4)	H92c—C9c—C10c	111 (4)
H152a—C15a—C16a	124 (5)	H92c—C9c—C8c	111 (5)
C14a—C15a—C16a	114.3 (7)	H91c—C9c—C10c	114 (4)
H162a—C16a—H161a	113 (7)	H91c—C9c—C8c	104 (3)
H162a—C16a—H163a	109 (8)	C10c—C9c—C8c	115.2 (5)
H162a—C16a—C15a	104 (5)	H101c—C10c—H102c	103 (6)
H161a—C16a—H163a	95 (6)	H101c—C10c—C9c	107 (4)
H161a—C16a—C15a	115 (5)	H101c—C10c—C11c	110 (4)
H163a—C16a—C15a	120 (5)	H102c—C10c—C9c	116 (3)
C1b—O1b—C2	116.5 (4)	H102c—C10c—C11c	105 (3)
O2b—C1b—O1b	121.8 (5)	C9c—C10c—C11c	115.2 (5)
O2b—C1b—C2b	126.3 (5)	H112c—C11c—H111c	104 (5)
O1b—C1b—C2b	111.9 (5)	H112c—C11c—C12c	110 (4)
H21b—C2b—H22b	113 (5)	H112c—C11c—C10c	110 (4)
H21b—C2b—C1b	109 (3)	H111c—C11c—C12c	114 (3)
H21b—C2b—C3b	106 (3)	H111c—C11c—C10c	102 (3)
H22b—C2b—C1b	103 (4)	C12c—C11c—C10c	115.7 (5)
H22b—C2b—C3b	112 (4)	H122c—C12c—H121c	104 (6)
C1b—C2b—C3b	113.9 (5)	H122c—C12c—C11c	114 (4)
H32b—C3b—H31b	107 (5)	H122c—C12c—C13c	107 (3)
H32b—C3b—C2b	109 (4)	H121c—C12c—C11c	106 (4)
H32b—C3b—C4b	107 (4)	H121c—C12c—C13c	110 (4)
H31b—C3b—C2b	106 (3)	C11c—C12c—C13c	114.7 (5)
H31b—C3b—C4b	114 (3)	H131c—C13c—H132c	111 (6)
C2b—C3b—C4b	113.9 (5)	H131c—C13c—C14c	102 (4)
H41b—C4b—H42b	109 (6)	H131c—C13c—C12c	110 (4)
H41b—C4b—C5b	111 (5)	H132c—C13c—C14c	115 (4)
H41b—C4b—C3b	104 (4)	H132c—C13c—C12c	104 (3)
H42b—C4b—C5b	106 (4)	C14c—C13c—C12c	114.9 (5)
H42b—C4b—C3b	113 (4)	H141c—C14c—H142c	104 (6)
C5b—C4b—C3b	113.1 (5)	H141c—C14c—C13c	116 (3)
H52b—C5b—H51b	104 (6)	H141c—C14c—C15c	107 (3)
H52b—C5b—C4b	111 (6)	H142c—C14c—C13c	104 (4)
H52b—C5b—C6b	105 (5)	H142c—C14c—C15c	111 (5)
H51b—C5b—C4b	105 (3)	C13c—C14c—C15c	114.5 (6)
H51b—C5b—C6b	116 (3)	H151c—C15c—H152c	102 (6)
C4b—C5b—C6b	114.6 (5)	H151c—C15c—C16c	106 (4)
H62b—C6b—H61b	114 (6)	H151c—C15c—C14c	111 (5)
H62b—C6b—C7b	107 (5)	H152c—C15c—C16c	118 (4)
H62b—C6b—C5b	103 (4)	H152c—C15c—C14c	103 (3)
H61b—C6b—C7b	106 (3)	C16c—C15c—C14c	115.0 (7)
H61b—C6b—C5b	113 (3)	H162c—C16c—H163c	106 (7)
C7b—C6b—C5b	113.9 (5)	H162c—C16c—H161c	115 (6)
H72b—C7b—H71b	103 (5)	H162c—C16c—C15c	107 (4)
H72b—C7b—C8b	110 (4)	H163c—C16c—H161c	98 (5)
H72b—C7b—C6b	110 (4)	H163c—C16c—C15c	119 (5)
H71b—C7b—C8b	113 (3)	H161c—C16c—C15c	112 (4)

O1a—C1—C2—C3	−56.9 (7)	C6b—C7b—C8b—H81b	−57 (4)
O1a—C1—C2—O1b	−176.3 (5)	C6b—C7b—C8b—H82b	58 (4)
O1a—C1—C2—H2	66 (3)	H71b—C7b—C8b—C9b	58 (4)
H11—C1—C2—C3	−179 (2)	H71b—C7b—C8b—H81b	−179 (5)
H11—C1—C2—O1b	62 (2)	H71b—C7b—C8b—H82b	−64 (5)
H11—C1—C2—H2	−56 (4)	H72b—C7b—C8b—C9b	−56 (5)
H12—C1—C2—C3	58 (4)	H72b—C7b—C8b—H81b	67 (6)
H12—C1—C2—O1b	−61 (4)	H72b—C7b—C8b—H82b	−178 (6)
H12—C1—C2—H2	−179 (5)	C7b—C8b—C9b—C10b	179.3 (6)
C2—C1—O1a—C1a	149.5 (5)	C7b—C8b—C9b—H91b	−54 (4)
H11—C1—O1a—C1a	−93 (2)	C7b—C8b—C9b—H92b	55 (4)
H12—C1—O1a—C1a	24 (4)	H81b—C8b—C9b—C10b	52 (4)
C1—C2—C3—O1c	−49.0 (6)	H81b—C8b—C9b—H91b	178 (5)
C1—C2—C3—H31	−160 (3)	H81b—C8b—C9b—H92b	−73 (6)
C1—C2—C3—H32	67 (2)	H82b—C8b—C9b—C10b	−62 (4)
O1b—C2—C3—O1c	67.7 (5)	H82b—C8b—C9b—H91b	65 (5)
O1b—C2—C3—H31	−44 (3)	H82b—C8b—C9b—H92b	174 (5)
O1b—C2—C3—H32	−176 (2)	C8b—C9b—C10b—C11b	−179.7 (6)
H2—C2—C3—O1c	−180 (3)	C8b—C9b—C10b—H101b	−59 (4)
H2—C2—C3—H31	69 (5)	C8b—C9b—C10b—H102b	63 (5)
H2—C2—C3—H32	−64 (4)	H91b—C9b—C10b—C11b	60 (4)
C1—C2—O1b—C1b	−152.7 (5)	H91b—C9b—C10b—H101b	−179 (6)
C3—C2—O1b—C1b	84.8 (6)	H91b—C9b—C10b—H102b	−58 (6)
H2—C2—O1b—C1b	−26 (4)	H92b—C9b—C10b—C11b	−55 (5)
C2—C3—O1c—C1c	−173.1 (5)	H92b—C9b—C10b—H101b	66 (6)
H31—C3—O1c—C1c	−63 (3)	H92b—C9b—C10b—H102b	−172 (7)
H32—C3—O1c—C1c	66 (3)	C9b—C10b—C11b—C12b	−179.6 (6)
C1—O1a—C1a—O2a	6.3 (8)	C9b—C10b—C11b—H111b	60 (4)
C1—O1a—C1a—C2a	−174.8 (5)	C9b—C10b—C11b—H112b	−54 (3)
O1a—C1a—C2a—C3a	−156.8 (5)	H101b—C10b—C11b—C12b	55 (4)
O1a—C1a—C2a—H21a	−35 (5)	H101b—C10b—C11b—H111b	−66 (6)
O1a—C1a—C2a—H22a	85 (4)	H101b—C10b—C11b—H112b	−179 (5)
O2a—C1a—C2a—C3a	22.0 (10)	H102b—C10b—C11b—C12b	−64 (5)
O2a—C1a—C2a—H21a	144 (5)	H102b—C10b—C11b—H111b	175 (6)
O2a—C1a—C2a—H22a	−96 (4)	H102b—C10b—C11b—H112b	62 (6)
C1a—C2a—C3a—C4a	−177.8 (6)	C10b—C11b—C12b—C13b	−179.9 (7)
C1a—C2a—C3a—H31a	57 (3)	C10b—C11b—C12b—H121b	−57 (4)
C1a—C2a—C3a—H32a	−57 (4)	C10b—C11b—C12b—H122b	62 (5)
H21a—C2a—C3a—C4a	70 (5)	H111b—C11b—C12b—C13b	−58 (4)
H21a—C2a—C3a—H31a	−55 (5)	H111b—C11b—C12b—H121b	64 (6)
H21a—C2a—C3a—H32a	−169 (6)	H111b—C11b—C12b—H122b	−177 (6)
H22a—C2a—C3a—C4a	−61 (4)	H112b—C11b—C12b—C13b	62 (3)
H22a—C2a—C3a—H31a	174 (5)	H112b—C11b—C12b—H121b	−176 (5)
H22a—C2a—C3a—H32a	59 (6)	H112b—C11b—C12b—H122b	−57 (6)
C2a—C3a—C4a—C5a	−175.4 (6)	C11b—C12b—C13b—C14b	−179.6 (7)
C2a—C3a—C4a—H41a	−59 (4)	C11b—C12b—C13b—H131b	−55 (4)
C2a—C3a—C4a—H42a	61 (4)	C11b—C12b—C13b—H132b	63 (4)
H31a—C3a—C4a—C5a	−55 (3)	H121b—C12b—C13b—C14b	51 (4)
H31a—C3a—C4a—H41a	62 (5)	H121b—C12b—C13b—H131b	176 (5)
H31a—C3a—C4a—H42a	−178 (5)	H121b—C12b—C13b—H132b	−67 (5)
H32a—C3a—C4a—C5a	62 (5)	H122b—C12b—C13b—C14b	−64 (4)
H32a—C3a—C4a—H41a	179 (6)	H122b—C12b—C13b—H131b	61 (6)
H32a—C3a—C4a—H42a	−62 (6)	H122b—C12b—C13b—H132b	178 (6)
C3a—C4a—C5a—C6a	−179.5 (6)	C12b—C13b—C14b—C15b	−179.7 (7)
C3a—C4a—C5a—H51a	−58 (4)	C12b—C13b—C14b—H141b	60 (4)
C3a—C4a—C5a—H52a	55 (4)	C12b—C13b—C14b—H142b	−61 (3)
H41a—C4a—C5a—C6a	67 (4)	H131b—C13b—C14b—C15b	59 (4)
H41a—C4a—C5a—H51a	−172 (6)	H131b—C13b—C14b—H141b	−61 (6)
H41a—C4a—C5a—H52a	−58 (5)	H131b—C13b—C14b—H142b	178 (5)
H42a—C4a—C5a—C6a	−53 (4)	H132b—C13b—C14b—C15b	−57 (4)
H42a—C4a—C5a—H51a	68 (6)	H132b—C13b—C14b—H141b	−177 (6)
H42a—C4a—C5a—H52a	−178 (5)	H132b—C13b—C14b—H142b	62 (5)
C4a—C5a—C6a—C7a	−178.8 (6)	C13b—C14b—C15b—C16b	179.9 (8)
C4a—C5a—C6a—H61a	59 (4)	C13b—C14b—C15b—H151b	−56 (4)
C4a—C5a—C6a—H62a	−60 (5)	C13b—C14b—C15b—H152b	67 (5)
H51a—C5a—C6a—C7a	56 (4)	H141b—C14b—C15b—C16b	−62 (4)
H51a—C5a—C6a—H61a	−67 (6)	H141b—C14b—C15b—H151b	62 (6)
H51a—C5a—C6a—H62a	174 (6)	H141b—C14b—C15b—H152b	−175 (6)
H52a—C5a—C6a—C7a	−58 (4)	H142b—C14b—C15b—C16b	55 (3)
H52a—C5a—C6a—H61a	180 (5)	H142b—C14b—C15b—H151b	178 (6)
H52a—C5a—C6a—H62a	60 (6)	H142b—C14b—C15b—H152b	−58 (6)
C5a—C6a—C7a—C8a	−179.2 (6)	C14b—C15b—C16b—H161b	−59 (6)
C5a—C6a—C7a—H71a	54 (4)	C14b—C15b—C16b—H162b	62 (7)
C5a—C6a—C7a—H72a	−57 (4)	C14b—C15b—C16b—H163b	179 (4)
H61a—C6a—C7a—C8a	−54 (4)	H151b—C15b—C16b—H161b	−175 (7)
H61a—C6a—C7a—H71a	180 (5)	H151b—C15b—C16b—H162b	−54 (8)
H61a—C6a—C7a—H72a	68 (5)	H151b—C15b—C16b—H163b	64 (6)
H62a—C6a—C7a—C8a	63 (4)	H152b—C15b—C16b—H161b	62 (8)
H62a—C6a—C7a—H71a	−63 (6)	H152b—C15b—C16b—H162b	−177 (9)
H62a—C6a—C7a—H72a	−174 (6)	H152b—C15b—C16b—H163b	−59 (6)
C6a—C7a—C8a—C9a	−179.5 (6)	C3—O1c—C1c—O2c	−1.4 (8)
C6a—C7a—C8a—H81a	60 (4)	C3—O1c—C1c—C2c	178.8 (5)
C6a—C7a—C8a—H82a	−59 (5)	O1c—C1c—C2c—C3c	54.7 (6)
H71a—C7a—C8a—C9a	−56 (4)	O1c—C1c—C2c—H21c	−67 (3)
H71a—C7a—C8a—H81a	−177 (5)	O1c—C1c—C2c—H22c	164 (3)
H71a—C7a—C8a—H82a	64 (6)	O2c—C1c—C2c—C3c	−125.2 (6)
H72a—C7a—C8a—C9a	55 (4)	O2c—C1c—C2c—H21c	113 (3)
H72a—C7a—C8a—H81a	−65 (6)	O2c—C1c—C2c—H22c	−16 (3)
H72a—C7a—C8a—H82a	176 (6)	C1c—C2c—C3c—C4c	63.9 (8)
C7a—C8a—C9a—C10a	−179.4 (6)	C1c—C2c—C3c—H31c	−64 (3)
C7a—C8a—C9a—H91a	−62 (4)	C1c—C2c—C3c—H32c	178 (3)
C7a—C8a—C9a—H92a	55 (5)	H21c—C2c—C3c—C4c	−178 (3)
H81a—C8a—C9a—C10a	−54 (4)	H21c—C2c—C3c—H31c	55 (4)
H81a—C8a—C9a—H91a	64 (5)	H21c—C2c—C3c—H32c	−64 (5)
H81a—C8a—C9a—H92a	−180 (6)	H22c—C2c—C3c—C4c	−45 (4)
H82a—C8a—C9a—C10a	59 (4)	H22c—C2c—C3c—H31c	−173 (5)
H82a—C8a—C9a—H91a	177 (6)	H22c—C2c—C3c—H32c	69 (5)
H82a—C8a—C9a—H92a	−66 (6)	C2c—C3c—C4c—C5c	176.4 (6)
C8a—C9a—C10a—C11a	179.7 (6)	C2c—C3c—C4c—H41c	−60 (4)
C8a—C9a—C10a—H101a	−57 (4)	C2c—C3c—C4c—H42c	52 (4)
C8a—C9a—C10a—H102a	57 (4)	H31c—C3c—C4c—C5c	−59 (3)
H91a—C9a—C10a—C11a	58 (4)	H31c—C3c—C4c—H41c	64 (5)
H91a—C9a—C10a—H101a	−178 (6)	H31c—C3c—C4c—H42c	177 (5)
H91a—C9a—C10a—H102a	−64 (6)	H32c—C3c—C4c—C5c	59 (4)
H92a—C9a—C10a—C11a	−60 (5)	H32c—C3c—C4c—H41c	−178 (5)
H92a—C9a—C10a—H101a	64 (6)	H32c—C3c—C4c—H42c	−66 (5)
H92a—C9a—C10a—H102a	178 (6)	C3c—C4c—C5c—C6c	−178.0 (6)
C9a—C10a—C11a—C12a	−179.6 (6)	C3c—C4c—C5c—H51c	−55 (4)
C9a—C10a—C11a—H111a	−53 (4)	C3c—C4c—C5c—H52c	58 (4)
C9a—C10a—C11a—H112a	53 (4)	H41c—C4c—C5c—C6c	62 (3)
H101a—C10a—C11a—C12a	61 (4)	H41c—C4c—C5c—H51c	−174 (5)
H101a—C10a—C11a—H111a	−172 (5)	H41c—C4c—C5c—H52c	−62 (5)
H101a—C10a—C11a—H112a	−67 (6)	H42c—C4c—C5c—C6c	−50 (3)
H102a—C10a—C11a—C12a	−52 (4)	H42c—C4c—C5c—H51c	74 (5)
H102a—C10a—C11a—H111a	76 (5)	H42c—C4c—C5c—H52c	−174 (5)
H102a—C10a—C11a—H112a	−179 (5)	C4c—C5c—C6c—C7c	179.1 (6)
C10a—C11a—C12a—C13a	178.6 (7)	C4c—C5c—C6c—H61c	55 (4)
C10a—C11a—C12a—H121a	−62 (5)	C4c—C5c—C6c—H62c	−61 (4)
C10a—C11a—C12a—H122a	56 (4)	H51c—C5c—C6c—C7c	52 (5)
H111a—C11a—C12a—C13a	51 (4)	H51c—C5c—C6c—H61c	−72 (6)
H111a—C11a—C12a—H121a	170 (6)	H51c—C5c—C6c—H62c	172 (6)
H111a—C11a—C12a—H122a	−72 (5)	H52c—C5c—C6c—C7c	−62 (4)
H112a—C11a—C12a—C13a	−58 (4)	H52c—C5c—C6c—H61c	174 (5)
H112a—C11a—C12a—H121a	60 (6)	H52c—C5c—C6c—H62c	58 (6)
H112a—C11a—C12a—H122a	179 (6)	C5c—C6c—C7c—C8c	−178.8 (7)
C11a—C12a—C13a—C14a	178.8 (7)	C5c—C6c—C7c—H71c	53 (4)
C11a—C12a—C13a—H131a	54 (4)	C5c—C6c—C7c—H72c	−55 (4)
C11a—C12a—C13a—H132a	−64 (4)	H61c—C6c—C7c—C8c	−52 (3)
H121a—C12a—C13a—C14a	63 (4)	H61c—C6c—C7c—H71c	−180 (5)
H121a—C12a—C13a—H131a	−62 (6)	H61c—C6c—C7c—H72c	72 (5)
H121a—C12a—C13a—H132a	−180 (6)	H62c—C6c—C7c—C8c	64 (4)
H122a—C12a—C13a—C14a	−57 (4)	H62c—C6c—C7c—H71c	−64 (5)
H122a—C12a—C13a—H131a	178 (6)	H62c—C6c—C7c—H72c	−172 (5)
H122a—C12a—C13a—H132a	60 (6)	C6c—C7c—C8c—C9c	−179.7 (7)
C12a—C13a—C14a—C15a	178.9 (7)	C6c—C7c—C8c—H81c	−57 (4)
C12a—C13a—C14a—H141a	−62 (5)	C6c—C7c—C8c—H82c	57 (4)
C12a—C13a—C14a—H142a	58 (4)	H71c—C7c—C8c—C9c	−59 (4)
H131a—C13a—C14a—C15a	−62 (4)	H71c—C7c—C8c—H81c	64 (6)
H131a—C13a—C14a—H141a	57 (7)	H71c—C7c—C8c—H82c	178 (6)
H131a—C13a—C14a—H142a	177 (6)	H72c—C7c—C8c—C9c	54 (4)
H132a—C13a—C14a—C15a	59 (4)	H72c—C7c—C8c—H81c	177 (6)
H132a—C13a—C14a—H141a	178 (7)	H72c—C7c—C8c—H82c	−69 (6)
H132a—C13a—C14a—H142a	−62 (6)	C7c—C8c—C9c—C10c	180.0 (7)
C13a—C14a—C15a—C16a	178.1 (9)	C7c—C8c—C9c—H91c	55 (4)
C13a—C14a—C15a—H151a	−69 (6)	C7c—C8c—C9c—H92c	−52 (5)
C13a—C14a—C15a—H152a	43 (5)	H81c—C8c—C9c—C10c	59 (4)
H141a—C14a—C15a—C16a	62 (5)	H81c—C8c—C9c—H91c	−66 (6)
H141a—C14a—C15a—H151a	175 (7)	H81c—C8c—C9c—H92c	−173 (6)
H141a—C14a—C15a—H152a	−73 (7)	H82c—C8c—C9c—C10c	−54 (4)
H142a—C14a—C15a—C16a	−56 (4)	H82c—C8c—C9c—H91c	−179 (6)
H142a—C14a—C15a—H151a	57 (7)	H82c—C8c—C9c—H92c	74 (6)
H142a—C14a—C15a—H152a	169 (7)	C8c—C9c—C10c—C11c	−179.2 (7)
C14a—C15a—C16a—H161a	172 (5)	C8c—C9c—C10c—H101c	−56 (5)
C14a—C15a—C16a—H162a	−64 (5)	C8c—C9c—C10c—H102c	58 (4)
C14a—C15a—C16a—H163a	59 (7)	H91c—C9c—C10c—C11c	−59 (4)
H151a—C15a—C16a—H161a	57 (8)	H91c—C9c—C10c—H101c	64 (6)
H151a—C15a—C16a—H162a	−178 (8)	H91c—C9c—C10c—H102c	178 (6)
H151a—C15a—C16a—H163a	−56 (9)	H92c—C9c—C10c—C11c	53 (5)
H152a—C15a—C16a—H161a	−65 (8)	H92c—C9c—C10c—H101c	176 (7)
H152a—C15a—C16a—H162a	60 (8)	H92c—C9c—C10c—H102c	−70 (6)
H152a—C15a—C16a—H163a	−177 (9)	C9c—C10c—C11c—C12c	−179.9 (7)
C2—O1b—C1b—O2b	0.3 (8)	C9c—C10c—C11c—H111c	56 (3)
C2—O1b—C1b—C2b	−178.7 (5)	C9c—C10c—C11c—H112c	−54 (4)
O1b—C1b—C2b—C3b	159.4 (5)	H101c—C10c—C11c—C12c	58 (4)
O1b—C1b—C2b—H21b	−83 (3)	H101c—C10c—C11c—H111c	−66 (5)
O1b—C1b—C2b—H22b	38 (4)	H101c—C10c—C11c—H112c	−176 (6)
O2b—C1b—C2b—C3b	−19.6 (9)	H102c—C10c—C11c—C12c	−51 (4)
O2b—C1b—C2b—H21b	98 (3)	H102c—C10c—C11c—H111c	−175 (5)
O2b—C1b—C2b—H22b	−141 (4)	H102c—C10c—C11c—H112c	74 (5)
C1b—C2b—C3b—C4b	170.6 (6)	C10c—C11c—C12c—C13c	−179.4 (7)
C1b—C2b—C3b—H31b	−63 (4)	C10c—C11c—C12c—H121c	−58 (4)
C1b—C2b—C3b—H32b	51 (4)	C10c—C11c—C12c—H122c	56 (4)
H21b—C2b—C3b—C4b	51 (3)	H111c—C11c—C12c—C13c	−62 (3)
H21b—C2b—C3b—H31b	177 (5)	H111c—C11c—C12c—H121c	60 (6)
H21b—C2b—C3b—H32b	−69 (5)	H111c—C11c—C12c—H122c	174 (5)
H22b—C2b—C3b—C4b	−73 (4)	H112c—C11c—C12c—C13c	55 (4)
H22b—C2b—C3b—H31b	53 (6)	H112c—C11c—C12c—H121c	177 (6)
H22b—C2b—C3b—H32b	168 (6)	H112c—C11c—C12c—H122c	−69 (6)
C2b—C3b—C4b—C5b	176.0 (6)	C11c—C12c—C13c—C14c	−179.8 (7)
C2b—C3b—C4b—H41b	56 (5)	C11c—C12c—C13c—H131c	−66 (4)
C2b—C3b—C4b—H42b	−63 (4)	C11c—C12c—C13c—H132c	54 (4)
H31b—C3b—C4b—C5b	54 (4)	H121c—C12c—C13c—C14c	61 (4)
H31b—C3b—C4b—H41b	−66 (6)	H121c—C12c—C13c—H131c	175 (6)
H31b—C3b—C4b—H42b	176 (6)	H121c—C12c—C13c—H132c	−66 (6)
H32b—C3b—C4b—C5b	−64 (4)	H122c—C12c—C13c—C14c	−52 (4)
H32b—C3b—C4b—H41b	176 (6)	H122c—C12c—C13c—H131c	63 (6)
H32b—C3b—C4b—H42b	58 (6)	H122c—C12c—C13c—H132c	−178 (6)
C3b—C4b—C5b—C6b	177.6 (6)	C12c—C13c—C14c—C15c	−179.6 (7)
C3b—C4b—C5b—H51b	−54 (4)	C12c—C13c—C14c—H141c	55 (4)
C3b—C4b—C5b—H52b	58 (5)	C12c—C13c—C14c—H142c	−58 (5)
H41b—C4b—C5b—C6b	−66 (4)	H131c—C13c—C14c—C15c	61 (4)
H41b—C4b—C5b—H51b	63 (6)	H131c—C13c—C14c—H141c	−64 (6)
H41b—C4b—C5b—H52b	175 (7)	H131c—C13c—C14c—H142c	−177 (7)
H42b—C4b—C5b—C6b	52 (4)	H132c—C13c—C14c—C15c	−59 (4)
H42b—C4b—C5b—H51b	−179 (6)	H132c—C13c—C14c—H141c	176 (5)
H42b—C4b—C5b—H52b	−67 (7)	H132c—C13c—C14c—H142c	62 (6)
C4b—C5b—C6b—C7b	179.2 (6)	C13c—C14c—C15c—C16c	179.9 (8)
C4b—C5b—C6b—H61b	−59 (4)	C13c—C14c—C15c—H151c	−59 (5)
C4b—C5b—C6b—H62b	64 (5)	C13c—C14c—C15c—H152c	50 (4)
H51b—C5b—C6b—C7b	56 (4)	H141c—C14c—C15c—C16c	−51 (3)
H51b—C5b—C6b—H61b	178 (5)	H141c—C14c—C15c—H151c	71 (6)
H51b—C5b—C6b—H62b	−59 (6)	H141c—C14c—C15c—H152c	180 (5)
H52b—C5b—C6b—C7b	−58 (6)	H142c—C14c—C15c—C16c	63 (5)
H52b—C5b—C6b—H61b	64 (7)	H142c—C14c—C15c—H151c	−176 (6)
H52b—C5b—C6b—H62b	−173 (7)	H142c—C14c—C15c—H152c	−67 (6)
C5b—C6b—C7b—C8b	178.9 (6)	C14c—C15c—C16c—H161c	178 (4)
C5b—C6b—C7b—H71b	−56 (4)	C14c—C15c—C16c—H162c	−55 (5)
C5b—C6b—C7b—H72b	55 (4)	C14c—C15c—C16c—H163c	65 (6)
H61b—C6b—C7b—C8b	53 (4)	H151c—C15c—C16c—H161c	54 (6)
H61b—C6b—C7b—H71b	179 (5)	H151c—C15c—C16c—H162c	−179 (7)
H61b—C6b—C7b—H72b	−71 (6)	H151c—C15c—C16c—H163c	−59 (7)
H62b—C6b—C7b—C8b	−68 (4)	H152c—C15c—C16c—H161c	−60 (6)
H62b—C6b—C7b—H71b	57 (5)	H152c—C15c—C16c—H162c	67 (7)
H62b—C6b—C7b—H72b	168 (6)	H152c—C15c—C16c—H163c	−173 (7)
C6b—C7b—C8b—C9b	−179.8 (6)

Experimental details

Crystal data
Chemical formula	C₅₁H₉₈O₆
M_r	807.33
Crystal system, space group	Triclinic, P1
Temperature (K)	243
a, b, c (Å)	5.4514 (8), 11.945 (1), 40.482 (3)
α, β, γ (°)	84.662 (7), 86.97 (1), 79.77 (1)
V (Å³)	2581.1 (5)
Z	2
Radiation type	Cu Kα
µ (mm⁻¹)	0.5
Crystal size (mm)	0.90 × 0.18 × 0.08

Data collection
Diffractometer	Enraf-Nonius CAD-4 diffractometer
Absorption correction	–
No. of measured, independent and observed [Inet > 2.5σ(Inet₎] reflections	10591, 0.105910+05, 4491
R_int	?
(sin θ/λ)_max (Å⁻¹)	0.626

Refinement
R[F² > 2σ(F²)], wR(F²), S	0.078, 0.1, 0.70
No. of reflections	4491
No. of parameters	909
No. of restraints	98
H-atom treatment	H-atom x,y,z,U refined, restrained at 0.96 Å
Δρ_max, Δρ_min (e Å⁻³)	0.41, −0.46

Computer programs: CAD-4 Software (Enraf-Nonius, 1989), Local program CELCON, xtal_ADDREF (Hall et al., 1995), CRUNCH (de Gelder et al., 1993), xtal_CRYLSQ (Hall et al., 1995), xtal_ORTEP (Hall et al., 1995), xtal_BONDLA_CIFIO (Hall et al., 1995).

Selected geometric parameters (Å, º) top

C1—O1a	1.433 (7)	C5b—C6b	1.522 (9)
C1—C2	1.502 (8)	C6b—C7b	1.518 (9)
C2—O1b	1.441 (7)	C7b—C8b	1.509 (9)
C2—C3	1.522 (8)	C8b—C9b	1.512 (9)
C3—O1c	1.460 (7)	C9b—C10b	1.516 (9)
O1a—C1a	1.341 (7)	C10b—C11b	1.521 (9)
C1a—O2a	1.203 (7)	C11b—C12b	1.504 (9)
C1a—C2a	1.487 (8)	C12b—C13b	1.514 (10)
C2a—C3a	1.525 (9)	C13b—C14b	1.513 (10)
C3a—C4a	1.520 (9)	C14b—C15b	1.510 (10)
C4a—C5a	1.516 (9)	C15b—C16b	1.515 (12)
C5a—C6a	1.516 (9)	O1c—C1c	1.345 (7)
C6a—C7a	1.515 (9)	C1c—O2c	1.199 (6)
C7a—C8a	1.506 (9)	C1c—C2c	1.524 (9)
C8a—C9a	1.521 (9)	C2c—C3c	1.524 (9)
C9a—C10a	1.514 (9)	C3c—C4c	1.509 (9)
C10a—C11a	1.510 (9)	C4c—C5c	1.520 (9)
C11a—C12a	1.519 (9)	C5c—C6c	1.511 (9)
C12a—C13a	1.514 (10)	C6c—C7c	1.513 (9)
C13a—C14a	1.514 (10)	C7c—C8c	1.508 (9)
C14a—C15a	1.505 (11)	C8c—C9c	1.520 (9)
C15a—C16a	1.511 (14)	C9c—C10c	1.507 (10)
O1b—C1b	1.354 (6)	C10c—C11c	1.515 (9)
C1b—O2b	1.200 (6)	C11c—C12c	1.502 (10)
C1b—C2b	1.480 (8)	C12c—C13c	1.518 (10)
C2b—C3b	1.515 (9)	C13c—C14c	1.505 (10)
C3b—C4b	1.520 (8)	C14c—C15c	1.513 (10)
C4b—C5b	1.520 (9)	C15c—C16c	1.509 (12)

O1a—C1—C2	107.2 (4)	C4b—C5b—C6b	114.6 (5)
O1b—C2—C1	104.7 (4)	C7b—C6b—C5b	113.9 (5)
O1b—C2—C3	109.4 (5)	C8b—C7b—C6b	114.5 (5)
C1—C2—C3	114.0 (5)	C7b—C8b—C9b	114.4 (5)
O1c—C3—C2	106.7 (4)	C8b—C9b—C10b	114.6 (5)
C1a—O1a—C1	118.0 (4)	C9b—C10b—C11b	114.6 (5)
O2a—C1a—O1a	120.8 (5)	C12b—C11b—C10b	114.7 (5)
O2a—C1a—C2a	126.2 (6)	C11b—C12b—C13b	114.2 (5)
O1a—C1a—C2a	113.0 (5)	C14b—C13b—C12b	114.8 (5)
C1a—C2a—C3a	113.1 (5)	C15b—C14b—C13b	114.7 (6)
C4a—C3a—C2a	112.7 (5)	C14b—C15b—C16b	113.9 (7)
C5a—C4a—C3a	112.8 (5)	C1c—O1c—C3	116.0 (4)
C4a—C5a—C6a	114.7 (5)	O2c—C1c—O1c	124.6 (6)
C7a—C6a—C5a	114.0 (5)	O2c—C1c—C2c	124.3 (6)
C8a—C7a—C6a	114.7 (5)	O1c—C1c—C2c	111.0 (4)
C7a—C8a—C9a	114.8 (5)	C3c—C2c—C1c	112.6 (6)
C10a—C9a—C8a	114.9 (5)	C4c—C3c—C2c	113.1 (5)
C11a—C10a—C9a	114.9 (5)	C3c—C4c—C5c	114.8 (5)
C10a—C11a—C12a	114.8 (5)	C6c—C5c—C4c	114.1 (5)
C13a—C12a—C11a	114.6 (5)	C5c—C6c—C7c	115.6 (5)
C14a—C13a—C12a	113.9 (6)	C8c—C7c—C6c	114.8 (5)
C15a—C14a—C13a	114.6 (6)	C7c—C8c—C9c	114.8 (5)
C14a—C15a—C16a	114.3 (7)	C10c—C9c—C8c	115.2 (5)
C1b—O1b—C2	116.5 (4)	C9c—C10c—C11c	115.2 (5)
O2b—C1b—O1b	121.8 (5)	C12c—C11c—C10c	115.7 (5)
O2b—C1b—C2b	126.3 (5)	C11c—C12c—C13c	114.7 (5)
O1b—C1b—C2b	111.9 (5)	C14c—C13c—C12c	114.9 (5)
C1b—C2b—C3b	113.9 (5)	C13c—C14c—C15c	114.5 (6)
C2b—C3b—C4b	113.9 (5)	C16c—C15c—C14c	115.0 (7)
C5b—C4b—C3b	113.1 (5)

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