Structure of β-trimyristin and β-tristearin from high-resolution X-ray powder diffraction data

The crystal structures of β-1,2,3-tritetradecanoylglycerol (β-trimyristin or β-MMM) and β-1,2,3-trioctadecanoylglycerol (β-tristearin or β-SSS) have been determined from high-resolution synchrotron X-ray powder diffraction data. Grid search and Rietveld refinement have been used to determine and refine the structure, respectively. Both substances crystallize in space group P with Z = 2. The unit-cell parameters for β-MMM are a = 12.0626 (6), b = 41.714 (1), c = 5.4588 (3) Å, α = 73.388 (4), β = 100.408 (5) and γ = 118.274 (4)°. For β-SSS the unit-cell parameters are a = 12.0053 (7), b = 51.902 (2), c = 5.4450 (3) Å, α = 73.752 (5), β = 100.256 (6) and γ = 117.691 (5)°. Soft-distance restraints have been applied to the molecules during refinement. For β-MMM the final R_p value obtained is 0.053 and for β-SSS the final R_p value is 0.041.

Computing details

For both compounds, cell refinement: UnitCell; data reduction: MRIA; program(s) used to solve structure: MRIA; program(s) used to refine structure: MRIA; molecular graphics: PLATON.

Figures

(MMM) β-1,2,3-tri-tetradecanoyl-glycerol

Crystal data

C45H86O6	γ = 118.274 (4)°
Mr = 723.18	V = 2314.7 (2) Å^3
Triclinic, P1	Z = 2
Hall symbol: -p 1	Synchrotron radiation, λ = 0.699716 Å
a = 12.0626 (6) Å	µ = 0.05 mm^−1
b = 41.714 (1) Å	T = 293 K
c = 5.4588 (3) Å	white
α = 73.388 (4)°	cylinder, ? × 1.5 mm mm
β = 100.408 (5)°

Data collection

ESRF BM16 diffractometer	Data collection mode: transmission
Radiation source: synchrotron	Scan method: continuous
Specimen mounting: capillary	2θmin = 1.495°, 2θmax = 30.005°, 2θstep = 0.005°

Refinement

Refinement on Inet	Profile function: split-type pseudo-Voigt
Rp = 8.2	731 parameters
Rwp = 11.4	251 restraints
Rexp = ?	H-atom parameters not refined
RBragg = 5.3
R(F^2) = 7.0	Background function: polynomal
χ^2 = 15.210	Preferred orientation correction: 'Ahtee and Jarvinen'
10400 data points

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq
C1	0.37100	0.48000	−0.27600	0.05700*
C2	0.33200	0.50700	−0.44900	0.05700*
C3	0.19200	0.49000	−0.52800	0.05700*
O1a	0.34200	0.45100	−0.40800	0.04800*
C1a	0.32000	0.41600	−0.27300	0.05700*
O2a	0.32300	0.41000	−0.03400	0.04800*
C2a	0.27800	0.38800	−0.42100	0.05700*
C3a	0.30000	0.35400	−0.27800	0.05700*
C4a	0.25800	0.32600	−0.43900	0.05700*
C5a	0.28900	0.29400	−0.31000	0.05700*
C6a	0.24300	0.26400	−0.46200	0.05700*
C7a	0.27800	0.23200	−0.32800	0.05700*
C8a	0.23200	0.20200	−0.47800	0.05700*
C9a	0.26900	0.16900	−0.33400	0.05700*
C10a	0.22100	0.14000	−0.49200	0.05700*
C11a	0.26100	0.10900	−0.35500	0.05700*
C12a	0.20700	0.07700	−0.51000	0.05700*
C13a	0.24700	0.04700	−0.37700	0.05700*
C14a	0.19100	0.01500	−0.53200	0.05700*
O1b	0.34700	0.53200	−0.29600	0.04800*
C1b	0.36600	0.56600	−0.42300	0.05700*
O2b	0.37200	0.57700	−0.66200	0.04800*
C2b	0.38300	0.59100	−0.26000	0.05700*
C3b	0.36600	0.62600	−0.40200	0.05700*
C4b	0.40000	0.65300	−0.23700	0.05700*
C5b	0.36900	0.68600	−0.37000	0.05700*
C6b	0.41100	0.71600	−0.21700	0.05700*
C7b	0.37600	0.74700	−0.34500	0.05700*
C8b	0.42800	0.77800	−0.19600	0.05700*
C9b	0.39200	0.81000	−0.33600	0.05700*
C10b	0.43200	0.83800	−0.16900	0.05700*
C11b	0.40100	0.87100	−0.32700	0.05700*
C12b	0.45300	0.90300	−0.17000	0.05700*
C13b	0.41300	0.93300	−0.31500	0.05700*
C14b	0.47100	0.96600	−0.17100	0.05700*
O1c	0.11800	0.46500	−0.30700	0.04800*
C1c	−0.00500	0.45000	−0.32300	0.05700*
O2c	−0.06300	0.45500	−0.53800	0.04800*
C2c	−0.07500	0.42700	−0.08000	0.05700*
C3c	−0.02400	0.39700	0.06400	0.05700*
C4c	−0.05700	0.36900	−0.09700	0.05700*
C5c	−0.02300	0.33800	0.04100	0.05700*
C6c	−0.07000	0.30700	−0.10700	0.05700*
C7c	−0.03800	0.27500	0.02700	0.05700*
C8c	−0.08500	0.24400	−0.11600	0.05700*
C9c	−0.04800	0.21300	0.01300	0.05700*
C10c	−0.10500	0.18100	−0.13400	0.05700*
C11c	−0.06000	0.15100	0.00200	0.05700*
C12c	−0.11400	0.12000	−0.14900	0.05700*
C13c	−0.07100	0.08900	−0.01700	0.05700*
C14c	−0.11500	0.05800	−0.16100	0.05700*
H1	0.45896	0.49186	−0.23415	0.05000*
H2	0.32630	0.46943	−0.12381	0.05000*
H3	0.38220	0.52001	−0.59382	0.05000*
H4	0.16759	0.50948	−0.59898	0.05000*
H5	0.17677	0.47626	−0.65258	0.05000*
H6	0.19031	0.37973	−0.46317	0.05000*
H7	0.32250	0.39919	−0.57369	0.05000*
H8	0.38740	0.36216	−0.23265	0.05000*
H9	0.25399	0.34232	−0.12722	0.05000*
H10	0.16934	0.31634	−0.47219	0.05000*
H11	0.29875	0.33829	−0.59615	0.05000*
H12	0.37798	0.30375	−0.28337	0.05000*
H13	0.25128	0.28259	−0.14941	0.05000*
H14	0.15383	0.25381	−0.48603	0.05000*
H15	0.27951	0.27537	−0.62384	0.05000*
H16	0.36718	0.24220	−0.30456	0.05000*
H17	0.24176	0.22071	−0.16588	0.05000*
H18	0.14283	0.19177	−0.50219	0.05000*
H19	0.26854	0.21315	−0.63983	0.05000*
H20	0.35811	0.17897	−0.30973	0.05000*
H21	0.23234	0.15757	−0.17232	0.05000*
H22	0.13166	0.12941	−0.51181	0.05000*
H23	0.25561	0.15153	−0.65565	0.05000*
H24	0.35042	0.11958	−0.34161	0.05000*
H25	0.22940	0.09835	−0.18851	0.05000*
H26	0.11755	0.06627	−0.52228	0.05000*
H27	0.23809	0.08766	−0.67693	0.05000*
H28	0.33642	0.05761	−0.36660	0.05000*
H29	0.21678	0.03648	−0.20934	0.05000*
H30	0.10157	0.00432	−0.54242	0.05000*
H31	0.22121	0.02544	−0.69968	0.05000*
H32	0.21684	−0.00384	−0.44632	0.05000*
H33	0.32322	0.57711	−0.13147	0.05000*
H34	0.46579	0.59888	−0.18187	0.05000*
H35	0.41817	0.63841	−0.54393	0.05000*
H36	0.28027	0.61841	−0.46153	0.05000*
H37	0.35463	0.63987	−0.08568	0.05000*
H38	0.48790	0.66272	−0.19316	0.05000*
H39	0.40922	0.69774	−0.52787	0.05000*
H40	0.28025	0.67619	−0.40224	0.05000*
H41	0.37322	0.70420	−0.05653	0.05000*
H42	0.50012	0.72655	−0.19012	0.05000*
H43	0.40856	0.75777	−0.51063	0.05000*
H44	0.28669	0.73686	−0.36038	0.05000*
H45	0.39436	0.76746	−0.03137	0.05000*
H46	0.51725	0.78801	−0.17808	0.05000*
H47	0.43334	0.82250	−0.49241	0.05000*
H48	0.30334	0.79976	−0.37078	0.05000*
H49	0.38687	0.82611	−0.01705	0.05000*
H50	0.51988	0.84736	−0.12552	0.05000*
H51	0.43997	0.88120	−0.48604	0.05000*
H52	0.31231	0.86181	−0.35716	0.05000*
H53	0.41917	0.89245	−0.00554	0.05000*
H54	0.54238	0.91366	−0.15161	0.05000*
H55	0.44245	0.94242	−0.48315	0.05000*
H56	0.32364	0.92262	−0.32426	0.05000*
H57	0.44155	0.95659	−0.00285	0.05000*
H58	0.56036	0.97639	−0.16174	0.05000*
H59	0.44588	0.98481	−0.26204	0.05000*
H60	−0.06091	0.44297	0.02813	0.05000*
H61	−0.16271	0.41444	−0.12205	0.05000*
H62	0.06496	0.40954	0.09150	0.05000*
H63	−0.06163	0.38411	0.22412	0.05000*
H64	−0.14511	0.35853	−0.13906	0.05000*
H65	−0.01255	0.38173	−0.24965	0.05000*
H66	0.06615	0.34817	0.06532	0.05000*
H67	−0.05953	0.32721	0.20282	0.05000*
H68	−0.15907	0.29711	−0.13203	0.05000*
H69	−0.03310	0.31795	−0.26846	0.05000*
H70	0.05112	0.28492	0.05054	0.05000*
H71	−0.07419	0.26426	0.18917	0.05000*
H72	−0.17441	0.23331	−0.13295	0.05000*
H73	−0.05177	0.25489	−0.28102	0.05000*
H74	0.04129	0.22318	0.02129	0.05000*
H75	−0.07724	0.20276	0.18147	0.05000*
H76	−0.19440	0.16994	−0.13728	0.05000*
H77	−0.07814	0.19108	−0.30433	0.05000*
H78	0.02948	0.16215	0.00924	0.05000*
H79	−0.08875	0.14041	0.17085	0.05000*
H80	−0.20345	0.10910	−0.15669	0.05000*
H81	−0.08499	0.13076	−0.31762	0.05000*
H82	0.01851	0.10051	−0.00164	0.05000*
H83	−0.10346	0.07781	0.14867	0.05000*
H84	−0.20450	0.04592	−0.17640	0.05000*
H85	−0.08253	0.06861	−0.32672	0.05000*
H86	−0.08523	0.04026	−0.06909	0.05000*

Geometric parameters (Å, º)

C1—H1	0.9500 (1)	C6b—H42	0.9501 (1)
C1—H2	0.9500 (1)	C6b—C7b	1.4942 (1)
C1—O1a	1.4533 (1)	C7b—H43	0.9500 (1)
C1—C2	1.4543 (1)	C7b—H44	0.9500 (1)
C2—H3	0.9500 (1)	C7b—C8b	1.5413 (1)
C2—O1b	1.4429 (1)	C8b—H46	0.9499 (1)
C2—C3	1.5225 (1)	C8b—H45	0.9499 (1)
C3—H5	0.9501 (1)	C8b—C9b	1.5493 (1)
C3—H4	0.9503 (1)	C9b—H48	0.9500 (1)
C3—O1c	1.4587 (1)	C9b—H47	0.9500 (1)
O1a—C1a	1.3539 (1)	C9b—C10b	1.5310 (1)
C1a—O2a	1.2534 (1)	C10b—H49	0.9500 (1)
C1a—C2a	1.4507 (1)	C10b—H50	0.9500 (1)
C2a—H7	0.9501 (1)	C10b—C11b	1.5721 (1)
C2a—H6	0.9501 (1)	C11b—H51	0.9500 (1)
C2a—C3a	1.5299 (1)	C11b—H52	0.9500 (1)
C3a—H8	0.9500 (1)	C11b—C12b	1.6051 (1)
C3a—H9	0.9500 (1)	C12b—H54	0.9500 (1)
C3a—C4a	1.5029 (1)	C12b—H53	0.9500 (1)
C4a—H10	0.9500 (1)	C12b—C13b	1.5143 (1)
C4a—H11	0.9500 (1)	C13b—H55	0.9500 (1)
C4a—C5a	1.5025 (1)	C13b—H56	0.9501 (1)
C5a—H13	0.9500 (1)	C13b—C14b	1.5844 (1)
C5a—H12	0.9500 (1)	C14b—H59	0.9498 (1)
C5a—C6a	1.5270 (1)	C14b—H57	0.9500 (1)
C6a—H14	0.9500 (1)	C14b—H58	0.9501 (1)
C6a—H15	0.9500 (1)	O1c—C1c	1.3059 (1)
C6a—C7a	1.5359 (1)	C1c—O2c	1.2697 (1)
C7a—H16	0.9500 (1)	C1c—C2c	1.5174 (1)
C7a—H17	0.9500 (1)	C2c—H60	0.9499 (1)
C7a—C8a	1.5193 (1)	C2c—H61	0.9500 (1)
C8a—H19	0.9500 (1)	C2c—C3c	1.5982 (1)
C8a—H18	0.9501 (1)	C3c—H63	0.9500 (1)
C8a—C9a	1.5966 (1)	C3c—H62	0.9500 (1)
C9a—H20	0.9500 (1)	C3c—C4c	1.5216 (1)
C9a—H21	0.9500 (1)	C4c—H65	0.9500 (1)
C9a—C10a	1.5149 (1)	C4c—H64	0.9500 (1)
C10a—H22	0.9500 (1)	C4c—C5c	1.4974 (1)
C10a—H23	0.9500 (1)	C5c—H66	0.9500 (1)
C10a—C11a	1.5401 (1)	C5c—H67	0.9500 (1)
C11a—H24	0.9500 (1)	C5c—C6c	1.5439 (1)
C11a—H25	0.9501 (1)	C6c—H69	0.9500 (1)
C11a—C12a	1.5952 (1)	C6c—H68	0.9500 (1)
C12a—H26	0.9500 (1)	C6c—C7c	1.5144 (1)
C12a—H27	0.9500 (1)	C7c—H70	0.9500 (1)
C12a—C13a	1.5009 (1)	C7c—H71	0.9500 (1)
C13a—H29	0.9500 (1)	C7c—C8c	1.5250 (1)
C13a—H28	0.9500 (1)	C8c—H73	0.9500 (1)
C13a—C14a	1.5934 (1)	C8c—H72	0.9500 (1)
C14a—H30	0.9500 (1)	C8c—C9c	1.5101 (1)
C14a—H31	0.9500 (1)	C9c—H74	0.9500 (1)
C14a—H32	0.9500 (1)	C9c—H75	0.9500 (1)
O1b—C1b	1.3162 (1)	C9c—C10c	1.5627 (1)
C1b—O2b	1.2563 (1)	C10c—H76	0.9499 (1)
C1b—C2b	1.4776 (1)	C10c—H77	0.9500 (1)
C2b—H34	0.9500 (1)	C10c—C11c	1.5423 (1)
C2b—H33	0.9501 (1)	C11c—H78	0.9499 (1)
C2b—C3b	1.5340 (1)	C11c—H79	0.9501 (1)
C3b—H36	0.9499 (1)	C11c—C12c	1.5470 (1)
C3b—H35	0.9500 (1)	C12c—H81	0.9500 (1)
C3b—C4b	1.5023 (1)	C12c—H80	0.9501 (1)
C4b—H38	0.9499 (1)	C12c—C13c	1.5584 (1)
C4b—H37	0.9500 (1)	C13c—H83	0.9500 (1)
C4b—C5b	1.5426 (1)	C13c—H82	0.9500 (1)
C5b—H39	0.9500 (1)	C13c—C14c	1.5336 (1)
C5b—H40	0.9501 (1)	C14c—H85	0.9500 (1)
C5b—C6b	1.5379 (1)	C14c—H86	0.9500 (1)
C6b—H41	0.9500 (1)	C14c—H84	0.9500 (1)
H1—C1—H2	109.470 (4)	H42—C6b—C5b	108.2150 (17)
H1—C1—O1a	110.011 (2)	C7b—C6b—C5b	114.350 (3)
H1—C1—C2	110.033 (3)	H43—C7b—H44	109.468 (3)
H2—C1—O1a	110.018 (3)	H43—C7b—C6b	108.588 (3)
H2—C1—C2	110.025 (4)	H43—C7b—C8b	108.617 (3)
O1a—C1—C2	107.259 (3)	H44—C7b—C6b	108.609 (3)
H3—C2—O1b	111.489 (3)	H44—C7b—C8b	108.5993 (12)
H3—C2—C1	111.473 (3)	C6b—C7b—C8b	112.919 (3)
H3—C2—C3	111.482 (3)	H46—C8b—H45	109.463 (4)
O1b—C2—C1	104.504 (4)	H46—C8b—C7b	108.9431 (18)
O1b—C2—C3	104.218 (2)	H46—C8b—C9b	108.926 (2)
C1—C2—C3	113.237 (3)	H45—C8b—C7b	108.932 (4)
H5—C3—H4	109.479 (4)	H45—C8b—C9b	108.938 (3)
H5—C3—O1c	109.225 (3)	C7b—C8b—C9b	111.614 (3)
H5—C3—C2	109.239 (3)	H48—C9b—H47	109.469 (4)
H4—C3—O1c	109.228 (4)	H48—C9b—C10b	109.2979 (17)
H4—C3—C2	109.221 (2)	H48—C9b—C8b	109.287 (3)
O1c—C3—C2	110.432 (4)	H47—C9b—C10b	109.289 (4)
C1a—O1a—C1	120.277 (4)	H47—C9b—C8b	109.291 (4)
O2a—C1a—O1a	117.026 (3)	C10b—C9b—C8b	110.193 (3)
O2a—C1a—C2a	126.180 (4)	H49—C10b—H50	109.463 (4)
O1a—C1a—C2a	116.189 (3)	H49—C10b—C9b	109.853 (4)
H7—C2a—H6	109.467 (4)	H49—C10b—C11b	109.861 (4)
H7—C2a—C1a	108.517 (4)	H50—C10b—C9b	109.8532 (17)
H7—C2a—C3a	108.532 (4)	H50—C10b—C11b	109.858 (2)
H6—C2a—C1a	108.5251 (18)	C9b—C10b—C11b	107.933 (3)
H6—C2a—C3a	108.529 (2)	H51—C11b—H52	109.470 (4)
C1a—C2a—C3a	113.225 (3)	H51—C11b—C10b	109.381 (4)
H8—C3a—H9	109.468 (4)	H51—C11b—C12b	109.393 (4)
H8—C3a—C4a	108.9062 (18)	H52—C11b—C10b	109.388 (2)
H8—C3a—C2a	108.894 (2)	H52—C11b—C12b	109.3875 (17)
H9—C3a—C4a	108.909 (4)	C10b—C11b—C12b	109.807 (3)
H9—C3a—C2a	108.889 (4)	H54—C12b—H53	109.474 (3)
C4a—C3a—C2a	111.749 (3)	H54—C12b—C13b	109.600 (3)
H10—C4a—H11	109.463 (3)	H54—C12b—C11b	109.577 (2)
H10—C4a—C5a	108.725 (3)	H53—C12b—C13b	109.595 (4)
H10—C4a—C3a	108.735 (2)	H53—C12b—C11b	109.577 (4)
H11—C4a—C5a	108.745 (4)	C13b—C12b—C11b	109.003 (3)
H11—C4a—C3a	108.720 (4)	H55—C13b—H56	109.465 (4)
C5a—C4a—C3a	112.419 (3)	H55—C13b—C12b	109.480 (3)
H13—C5a—H12	109.469 (3)	H55—C13b—C14b	109.450 (4)
H13—C5a—C4a	108.260 (3)	H56—C13b—C12b	109.484 (3)
H13—C5a—C6a	108.294 (4)	H56—C13b—C14b	109.440 (2)
H12—C5a—C4a	108.270 (2)	C12b—C13b—C14b	109.509 (3)
H12—C5a—C6a	108.2827 (17)	H59—C14b—H57	109.483 (3)
C4a—C5a—C6a	114.201 (3)	H59—C14b—H58	109.488 (3)
H14—C6a—H15	109.467 (3)	H59—C14b—C13b	109.468 (3)
H14—C6a—C5a	108.5664 (17)	H57—C14b—H58	109.466 (3)
H14—C6a—C7a	108.554 (3)	H57—C14b—C13b	109.466 (4)
H15—C6a—C5a	108.570 (3)	H58—C14b—C13b	109.4566 (17)
H15—C6a—C7a	108.544 (4)	C1c—O1c—C3	121.442 (3)
C5a—C6a—C7a	113.096 (3)	O2c—C1c—O1c	119.976 (4)
H16—C7a—H17	109.466 (4)	O2c—C1c—C2c	121.652 (4)
H16—C7a—C8a	108.5059 (17)	O1c—C1c—C2c	118.372 (3)
H16—C7a—C6a	108.508 (2)	H60—C2c—H61	109.459 (3)
H17—C7a—C8a	108.497 (4)	H60—C2c—C1c	109.632 (3)
H17—C7a—C6a	108.514 (4)	H60—C2c—C3c	109.613 (3)
C8a—C7a—C6a	113.304 (3)	H61—C2c—C1c	109.620 (4)
H19—C8a—H18	109.464 (3)	H61—C2c—C3c	109.616 (3)
H19—C8a—C7a	108.763 (3)	C1c—C2c—C3c	108.887 (4)
H19—C8a—C9a	108.764 (3)	H63—C3c—H62	109.471 (3)
H18—C8a—C7a	108.7537 (18)	H63—C3c—C4c	109.301 (3)
H18—C8a—C9a	108.770 (3)	H63—C3c—C2c	109.321 (4)
C7a—C8a—C9a	112.294 (3)	H62—C3c—C4c	109.302 (3)
H20—C9a—H21	109.466 (3)	H62—C3c—C2c	109.315 (3)
H20—C9a—C10a	109.3477 (17)	C4c—C3c—C2c	110.117 (3)
H20—C9a—C8a	109.338 (3)	H65—C4c—H64	109.467 (4)
H21—C9a—C10a	109.351 (4)	H65—C4c—C5c	108.775 (3)
H21—C9a—C8a	109.340 (4)	H65—C4c—C3c	108.796 (3)
C10a—C9a—C8a	109.985 (3)	H64—C4c—C5c	108.760 (2)
H22—C10a—H23	109.461 (3)	H64—C4c—C3c	108.806 (2)
H22—C10a—C9a	109.4840 (18)	C5c—C4c—C3c	112.206 (3)
H22—C10a—C11a	109.495 (3)	H66—C5c—H67	109.463 (4)
H23—C10a—C9a	109.489 (4)	H66—C5c—C4c	108.648 (2)
H23—C10a—C11a	109.489 (3)	H66—C5c—C6c	108.6654 (17)
C9a—C10a—C11a	109.409 (3)	H67—C5c—C4c	108.663 (4)
H24—C11a—H25	109.468 (3)	H67—C5c—C6c	108.657 (3)
H24—C11a—C10a	109.125 (3)	C4c—C5c—C6c	112.708 (3)
H24—C11a—C12a	109.131 (2)	H69—C6c—H68	109.471 (3)
H25—C11a—C10a	109.134 (4)	H69—C6c—C7c	108.229 (4)
H25—C11a—C12a	109.122 (3)	H69—C6c—C5c	108.259 (4)
C10a—C11a—C12a	110.843 (3)	H68—C6c—C7c	108.254 (3)
H26—C12a—H27	109.470 (4)	H68—C6c—C5c	108.232 (2)
H26—C12a—C13a	109.152 (2)	C7c—C6c—C5c	114.330 (3)
H26—C12a—C11a	109.1823 (17)	H70—C7c—H71	109.463 (3)
H27—C12a—C13a	109.152 (4)	H70—C7c—C6c	108.110 (3)
H27—C12a—C11a	109.179 (3)	H70—C7c—C8c	108.1062 (17)
C13a—C12a—C11a	110.689 (3)	H71—C7c—C6c	108.125 (4)
H29—C13a—H28	109.467 (3)	H71—C7c—C8c	108.096 (4)
H29—C13a—C12a	109.295 (4)	C6c—C7c—C8c	114.860 (3)
H29—C13a—C14a	109.319 (4)	H73—C8c—H72	109.465 (3)
H28—C13a—C12a	109.290 (3)	H73—C8c—C9c	108.160 (4)
H28—C13a—C14a	109.323 (2)	H73—C8c—C7c	108.185 (4)
C12a—C13a—C14a	110.132 (3)	H72—C8c—C9c	108.147 (3)
H30—C14a—H31	109.464 (4)	H72—C8c—C7c	108.197 (3)
H30—C14a—H32	109.479 (3)	C9c—C8c—C7c	114.614 (4)
H30—C14a—C13a	109.472 (2)	H74—C9c—H75	109.466 (3)
H31—C14a—H32	109.462 (4)	H74—C9c—C8c	108.755 (3)
H31—C14a—C13a	109.483 (4)	H74—C9c—C10c	108.771 (3)
H32—C14a—C13a	109.468 (3)	H75—C9c—C8c	108.761 (4)
C1b—O1b—C2	115.806 (3)	H75—C9c—C10c	108.756 (4)
O2b—C1b—O1b	123.665 (4)	C8c—C9c—C10c	112.300 (4)
O2b—C1b—C2b	121.985 (3)	H76—C10c—H77	109.468 (3)
O1b—C1b—C2b	114.336 (3)	H76—C10c—C11c	109.411 (3)
H34—C2b—H33	109.462 (4)	H76—C10c—C9c	109.434 (2)
H34—C2b—C1b	108.096 (3)	H77—C10c—C11c	109.409 (3)
H34—C2b—C3b	108.142 (2)	H77—C10c—C9c	109.427 (4)
H33—C2b—C1b	108.103 (3)	C11c—C10c—C9c	109.678 (3)
H33—C2b—C3b	108.122 (3)	H78—C11c—H79	109.471 (3)
C1b—C2b—C3b	114.837 (3)	H78—C11c—C10c	109.522 (3)
H36—C3b—H35	109.461 (4)	H78—C11c—C12c	109.5236 (18)
H36—C3b—C4b	108.556 (3)	H79—C11c—C10c	109.511 (4)
H36—C3b—C2b	108.556 (2)	H79—C11c—C12c	109.526 (3)
H35—C3b—C4b	108.548 (3)	C10c—C11c—C12c	109.274 (3)
H35—C3b—C2b	108.558 (3)	H81—C12c—H80	109.465 (3)
C4b—C3b—C2b	113.117 (3)	H81—C12c—C11c	109.131 (4)
H38—C4b—H37	109.469 (4)	H81—C12c—C13c	109.104 (4)
H38—C4b—C3b	108.544 (2)	H80—C12c—C11c	109.118 (2)
H38—C4b—C5b	108.558 (2)	H80—C12c—C13c	109.115 (3)
H37—C4b—C3b	108.541 (3)	C11c—C12c—C13c	110.890 (3)
H37—C4b—C5b	108.557 (3)	H83—C13c—H82	109.472 (3)
C3b—C4b—C5b	113.129 (3)	H83—C13c—C14c	108.210 (3)
H39—C5b—H40	109.466 (3)	H83—C13c—C12c	108.201 (4)
H39—C5b—C6b	108.015 (3)	H82—C13c—C14c	108.2153 (18)
H39—C5b—C4b	108.029 (4)	H82—C13c—C12c	108.196 (3)
H40—C5b—C6b	107.9916 (17)	C14c—C13c—C12c	114.477 (3)
H40—C5b—C4b	108.049 (2)	H85—C14c—H86	109.465 (4)
C6b—C5b—C4b	115.202 (2)	H85—C14c—H84	109.470 (4)
H41—C6b—H42	109.467 (3)	H85—C14c—C13c	109.479 (3)
H41—C6b—C7b	108.233 (4)	H86—C14c—H84	109.479 (3)
H41—C6b—C5b	108.242 (4)	H86—C14c—C13c	109.471 (3)
H42—C6b—C7b	108.266 (3)	H84—C14c—C13c	109.4638 (17)
O1a—C1—C2—C3	59.631 (13)	C5b—C6b—C7b—H43	−55.224 (11)
O1a—C1—C2—O1b	172.410 (5)	C5b—C6b—C7b—H44	63.740 (18)
O1a—C1—C2—H3	−67.035 (9)	H41—C6b—C7b—C8b	63.534 (7)
H1—C1—C2—C3	179.281 (15)	H41—C6b—C7b—H43	−175.944 (12)
H1—C1—C2—O1b	−67.940 (10)	H41—C6b—C7b—H44	−56.980 (15)
H1—C1—C2—H3	52.615 (14)	H42—C6b—C7b—C8b	−55.036 (19)
H2—C1—C2—C3	−60.022 (7)	H42—C6b—C7b—H43	65.49 (2)
H2—C1—C2—O1b	52.756 (11)	H42—C6b—C7b—H44	−175.55 (2)
H2—C1—C2—H3	173.31 (2)	C6b—C7b—C8b—C9b	179.030 (4)
C2—C1—O1a—C1a	−153.692 (7)	C6b—C7b—C8b—H45	−60.642 (16)
H1—C1—O1a—C1a	86.644 (6)	C6b—C7b—C8b—H46	58.71 (2)
H2—C1—O1a—C1a	−34.034 (17)	H43—C7b—C8b—C9b	58.52 (2)
C1—C2—C3—O1c	43.64 (2)	H43—C7b—C8b—H45	178.853 (18)
C1—C2—C3—H4	163.773 (8)	H43—C7b—C8b—H46	−61.796 (10)
C1—C2—C3—H5	−76.509 (15)	H44—C7b—C8b—C9b	−60.450 (19)
O1b—C2—C3—O1c	−69.32 (3)	H44—C7b—C8b—H45	59.88 (3)
O1b—C2—C3—H4	50.821 (14)	H44—C7b—C8b—H46	179.23 (2)
O1b—C2—C3—H5	170.538 (11)	C7b—C8b—C9b—C10b	173.601 (5)
H3—C2—C3—O1c	170.297 (18)	C7b—C8b—C9b—H47	−66.29 (2)
H3—C2—C3—H4	−69.57 (3)	C7b—C8b—C9b—H48	53.484 (17)
H3—C2—C3—H5	50.15 (4)	H45—C8b—C9b—C10b	53.276 (14)
C1—C2—O1b—C1b	154.327 (3)	H45—C8b—C9b—H47	173.385 (10)
C3—C2—O1b—C1b	−86.598 (10)	H45—C8b—C9b—H48	−66.84 (2)
H3—C2—O1b—C1b	33.78 (2)	H46—C8b—C9b—C10b	−66.068 (18)
C2—C3—O1c—C1c	173.261 (13)	H46—C8b—C9b—H47	54.04 (2)
H4—C3—O1c—C1c	53.127 (10)	H46—C8b—C9b—H48	173.815 (9)
H5—C3—O1c—C1c	−66.59 (3)	C8b—C9b—C10b—C11b	176.494 (5)
C1—O1a—C1a—O2a	1.645 (5)	C8b—C9b—C10b—H49	−63.74 (3)
C1—O1a—C1a—C2a	173.281 (5)	C8b—C9b—C10b—H50	56.73 (5)
O1a—C1a—C2a—C3a	159.290 (4)	H47—C9b—C10b—C11b	56.38 (2)
O1a—C1a—C2a—H6	−80.146 (10)	H47—C9b—C10b—H49	176.15 (2)
O1a—C1a—C2a—H7	38.728 (6)	H47—C9b—C10b—H50	−63.38 (7)
O2a—C1a—C2a—C3a	−29.948 (4)	H48—C9b—C10b—C11b	−63.40 (2)
O2a—C1a—C2a—H6	90.616 (9)	H48—C9b—C10b—H49	56.37 (4)
O2a—C1a—C2a—H7	−150.509 (4)	H48—C9b—C10b—H50	176.84 (3)
C1a—C2a—C3a—C4a	−178.761 (3)	C9b—C10b—C11b—C12b	−174.756 (8)
C1a—C2a—C3a—H8	−58.412 (11)	C9b—C10b—C11b—H51	−54.701 (10)
C1a—C2a—C3a—H9	60.890 (5)	C9b—C10b—C11b—H52	65.192 (19)
H6—C2a—C3a—C4a	60.677 (10)	H49—C10b—C11b—C12b	65.479 (12)
H6—C2a—C3a—H8	−178.974 (11)	H49—C10b—C11b—H51	−174.465 (10)
H6—C2a—C3a—H9	−59.672 (9)	H49—C10b—C11b—H52	−54.57 (3)
H7—C2a—C3a—C4a	−58.209 (7)	H50—C10b—C11b—C12b	−54.994 (15)
H7—C2a—C3a—H8	62.140 (16)	H50—C10b—C11b—H51	65.062 (18)
H7—C2a—C3a—H9	−178.558 (5)	H50—C10b—C11b—H52	−175.05 (2)
C2a—C3a—C4a—C5a	175.124 (2)	C10b—C11b—C12b—C13b	−175.418 (8)
C2a—C3a—C4a—H10	−64.436 (6)	C10b—C11b—C12b—H53	−55.49 (5)
C2a—C3a—C4a—H11	54.669 (4)	C10b—C11b—C12b—H54	64.65 (5)
H8—C3a—C4a—C5a	54.782 (13)	H51—C11b—C12b—C13b	64.534 (7)
H8—C3a—C4a—H10	175.222 (9)	H51—C11b—C12b—H53	−175.54 (4)
H8—C3a—C4a—H11	−65.672 (14)	H51—C11b—C12b—H54	−55.40 (6)
H9—C3a—C4a—C5a	−64.538 (8)	H52—C11b—C12b—C13b	−55.37 (3)
H9—C3a—C4a—H10	55.901 (8)	H52—C11b—C12b—H53	64.56 (6)
H9—C3a—C4a—H11	175.007 (6)	H52—C11b—C12b—H54	−175.30 (3)
C3a—C4a—C5a—C6a	177.529 (4)	C11b—C12b—C13b—C14b	−176.453 (8)
C3a—C4a—C5a—H12	−61.770 (4)	C11b—C12b—C13b—H55	−56.451 (13)
C3a—C4a—C5a—H13	56.819 (5)	C11b—C12b—C13b—H56	63.554 (12)
H10—C4a—C5a—C6a	57.083 (5)	H53—C12b—C13b—C14b	63.63 (3)
H10—C4a—C5a—H12	177.785 (4)	H53—C12b—C13b—H55	−176.37 (2)
H10—C4a—C5a—H13	−63.627 (4)	H53—C12b—C13b—H56	−56.37 (4)
H11—C4a—C5a—C6a	−62.031 (6)	H54—C12b—C13b—C14b	−56.53 (3)
H11—C4a—C5a—H12	58.671 (6)	H54—C12b—C13b—H55	63.47 (4)
H11—C4a—C5a—H13	177.259 (4)	H54—C12b—C13b—H56	−176.52 (3)
C4a—C5a—C6a—C7a	178.968 (3)	C12b—C13b—C14b—H57	−59.990 (15)
C4a—C5a—C6a—H14	−60.490 (10)	C12b—C13b—C14b—H58	59.991 (17)
C4a—C5a—C6a—H15	58.437 (4)	C12b—C13b—C14b—H59	−180.000 (6)
H12—C5a—C6a—C7a	58.274 (17)	H55—C13b—C14b—H57	179.989 (16)
H12—C5a—C6a—H14	178.815 (7)	H55—C13b—C14b—H58	−60.03 (2)
H12—C5a—C6a—H15	−62.257 (15)	H55—C13b—C14b—H59	59.979 (9)
H13—C5a—C6a—C7a	−60.341 (6)	H56—C13b—C14b—H57	60.029 (8)
H13—C5a—C6a—H14	60.200 (11)	H56—C13b—C14b—H58	−179.99 (2)
H13—C5a—C6a—H15	179.128 (5)	H56—C13b—C14b—H59	−59.981 (11)
C5a—C6a—C7a—C8a	179.780 (3)	C3—O1c—C1c—O2c	4.831 (13)
C5a—C6a—C7a—H16	−59.647 (13)	C3—O1c—C1c—C2c	−174.781 (16)
C5a—C6a—C7a—H17	59.215 (5)	O1c—C1c—C2c—C3c	−50.489 (16)
H14—C6a—C7a—C8a	59.232 (16)	O1c—C1c—C2c—H60	69.43 (3)
H14—C6a—C7a—H16	179.805 (7)	O1c—C1c—C2c—H61	−170.40 (2)
H14—C6a—C7a—H17	−61.333 (14)	O2c—C1c—C2c—C3c	129.906 (6)
H15—C6a—C7a—C8a	−59.674 (8)	O2c—C1c—C2c—H60	−110.180 (15)
H15—C6a—C7a—H16	60.899 (13)	O2c—C1c—C2c—H61	9.996 (19)
H15—C6a—C7a—H17	179.760 (3)	C1c—C2c—C3c—C4c	−65.365 (7)
C6a—C7a—C8a—C9a	−179.718 (4)	C1c—C2c—C3c—H62	54.727 (8)
C6a—C7a—C8a—H18	−59.289 (8)	C1c—C2c—C3c—H63	174.540 (6)
C6a—C7a—C8a—H19	59.854 (12)	H60—C2c—C3c—C4c	174.709 (6)
H16—C7a—C8a—C9a	59.708 (10)	H60—C2c—C3c—H62	−65.198 (16)
H16—C7a—C8a—H18	−179.863 (10)	H60—C2c—C3c—H63	54.615 (8)
H16—C7a—C8a—H19	−60.720 (8)	H61—C2c—C3c—C4c	54.548 (5)
H17—C7a—C8a—C9a	−59.143 (8)	H61—C2c—C3c—H62	174.640 (12)
H17—C7a—C8a—H18	61.286 (9)	H61—C2c—C3c—H63	−65.547 (8)
H17—C7a—C8a—H19	−179.571 (3)	C2c—C3c—C4c—C5c	−174.141 (5)
C7a—C8a—C9a—C10a	−179.941 (4)	C2c—C3c—C4c—H64	−53.745 (10)
C7a—C8a—C9a—H20	−59.859 (10)	C2c—C3c—C4c—H65	65.451 (7)
C7a—C8a—C9a—H21	59.972 (8)	H62—C3c—C4c—C5c	65.759 (10)
H18—C8a—C9a—C10a	59.640 (7)	H62—C3c—C4c—H64	−173.845 (12)
H18—C8a—C9a—H20	179.721 (6)	H62—C3c—C4c—H65	−54.649 (11)
H18—C8a—C9a—H21	−60.447 (6)	H63—C3c—C4c—C5c	−54.034 (4)
H19—C8a—C9a—C10a	−59.513 (5)	H63—C3c—C4c—H64	66.362 (10)
H19—C8a—C9a—H20	60.568 (5)	H63—C3c—C4c—H65	−174.442 (7)
H19—C8a—C9a—H21	−179.600 (6)	C3c—C4c—C5c—C6c	173.256 (3)
C8a—C9a—C10a—C11a	178.2043	C3c—C4c—C5c—H66	−66.255 (10)
C8a—C9a—C10a—H22	−61.797 (9)	C3c—C4c—C5c—H67	52.767 (9)
C8a—C9a—C10a—H23	58.209 (3)	H64—C4c—C5c—C6c	52.833 (7)
H20—C9a—C10a—C11a	58.129 (8)	H64—C4c—C5c—H66	173.323 (15)
H20—C9a—C10a—H22	178.128 (8)	H64—C4c—C5c—H67	−67.655 (8)
H20—C9a—C10a—H23	−61.866 (9)	H65—C4c—C5c—C6c	−66.324 (10)
H21—C9a—C10a—C11a	−61.716 (4)	H65—C4c—C5c—H66	54.165 (8)
H21—C9a—C10a—H22	58.283 (5)	H65—C4c—C5c—H67	173.187 (13)
H21—C9a—C10a—H23	178.289 (5)	C4c—C5c—C6c—C7c	−179.719 (3)
C9a—C10a—C11a—C12a	177.556 (3)	C4c—C5c—C6c—H68	−58.997 (8)
C9a—C10a—C11a—H24	−62.232 (4)	C4c—C5c—C6c—H69	59.572 (8)
C9a—C10a—C11a—H25	57.350 (4)	H66—C5c—C6c—C7c	59.802 (7)
H22—C10a—C11a—C12a	57.564 (6)	H66—C5c—C6c—H68	−179.477 (12)
H22—C10a—C11a—H24	177.776 (5)	H66—C5c—C6c—H69	−60.906 (7)
H22—C10a—C11a—H25	−62.642 (6)	H67—C5c—C6c—C7c	−59.226 (4)
H23—C10a—C11a—C12a	−62.449 (6)	H67—C5c—C6c—H68	61.495 (14)
H23—C10a—C11a—H24	57.763 (4)	H67—C5c—C6c—H69	−179.935 (10)
H23—C10a—C11a—H25	177.345 (4)	C5c—C6c—C7c—C8c	179.438 (3)
C10a—C11a—C12a—C13a	179.564 (3)	C5c—C6c—C7c—H70	−59.771 (6)
C10a—C11a—C12a—H26	−60.259 (7)	C5c—C6c—C7c—H71	58.649 (7)
C10a—C11a—C12a—H27	59.388 (7)	H68—C6c—C7c—C8c	58.729 (10)
H24—C11a—C12a—C13a	59.356 (10)	H68—C6c—C7c—H70	179.520 (9)
H24—C11a—C12a—H26	179.534 (4)	H68—C6c—C7c—H71	−62.060 (9)
H24—C11a—C12a—H27	−60.819 (5)	H69—C6c—C7c—C8c	−59.837 (6)
H25—C11a—C12a—C13a	−60.223 (6)	H69—C6c—C7c—H70	60.954 (10)
H25—C11a—C12a—H26	59.954 (7)	H69—C6c—C7c—H71	179.374 (4)
H25—C11a—C12a—H27	179.601 (4)	C6c—C7c—C8c—C9c	177.488 (4)
C11a—C12a—C13a—C14a	179.295 (3)	C6c—C7c—C8c—H72	−61.767 (5)
C11a—C12a—C13a—H28	−60.593 (7)	C6c—C7c—C8c—H73	56.735 (4)
C11a—C12a—C13a—H29	59.185 (7)	H70—C7c—C8c—C9c	56.695 (5)
H26—C12a—C13a—C14a	59.100 (4)	H70—C7c—C8c—H72	177.440 (5)
H26—C12a—C13a—H28	179.211 (3)	H70—C7c—C8c—H73	−64.058 (6)
H26—C12a—C13a—H29	−61.010 (4)	H71—C7c—C8c—C9c	−61.707 (7)
H27—C12a—C13a—C14a	−60.513 (6)	H71—C7c—C8c—H72	59.038 (9)
H27—C12a—C13a—H28	59.598 (4)	H71—C7c—C8c—H73	177.540 (8)
H27—C12a—C13a—H29	179.3766 (15)	C7c—C8c—C9c—C10c	176.791 (3)
C12a—C13a—C14a—H30	−59.995 (6)	C7c—C8c—C9c—H74	−62.774 (10)
C12a—C13a—C14a—H31	60.004 (5)	C7c—C8c—C9c—H75	56.370 (6)
C12a—C13a—C14a—H32	179.9977 (15)	H72—C8c—C9c—C10c	56.018 (6)
H28—C13a—C14a—H30	179.9130 (15)	H72—C8c—C9c—H74	176.453 (10)
H28—C13a—C14a—H31	−60.088 (6)	H72—C8c—C9c—H75	−64.403 (9)
H28—C13a—C14a—H32	59.905 (4)	H73—C8c—C9c—C10c	−62.443 (8)
H29—C13a—C14a—H30	60.101 (6)	H73—C8c—C9c—H74	57.992 (10)
H29—C13a—C14a—H31	−179.9007 (15)	H73—C8c—C9c—H75	177.136 (4)
H29—C13a—C14a—H32	−59.907 (5)	C8c—C9c—C10c—C11c	178.037 (4)
C2—O1b—C1b—O2b	−0.4290 (15)	C8c—C9c—C10c—H76	−61.932 (10)
C2—O1b—C1b—C2b	−179.054 (8)	C8c—C9c—C10c—H77	58.014 (5)
O1b—C1b—C2b—C3b	−162.666 (3)	H74—C9c—C10c—C11c	57.611 (12)
O1b—C1b—C2b—H33	−41.874 (19)	H74—C9c—C10c—H76	177.642 (6)
O1b—C1b—C2b—H34	76.524 (14)	H74—C9c—C10c—H77	−62.412 (13)
O2b—C1b—C2b—C3b	18.684 (5)	H75—C9c—C10c—C11c	−61.539 (7)
O2b—C1b—C2b—H33	139.475 (12)	H75—C9c—C10c—H76	58.491 (13)
O2b—C1b—C2b—H34	−102.13 (2)	H75—C9c—C10c—H77	178.437 (4)
C1b—C2b—C3b—C4b	−172.702 (5)	C9c—C10c—C11c—C12c	−178.487 (3)
C1b—C2b—C3b—H35	−52.160 (12)	C9c—C10c—C11c—H78	−58.512 (10)
C1b—C2b—C3b—H36	66.75 (2)	C9c—C10c—C11c—H79	61.542 (7)
H33—C2b—C3b—C4b	66.517 (14)	H76—C10c—C11c—C12c	61.469 (15)
H33—C2b—C3b—H35	−172.941 (10)	H76—C10c—C11c—H78	−178.556 (7)
H33—C2b—C3b—H36	−54.03 (3)	H76—C10c—C11c—H79	−58.502 (12)
H34—C2b—C3b—C4b	−51.916 (17)	H77—C10c—C11c—C12c	−58.452 (3)
H34—C2b—C3b—H35	68.63 (2)	H77—C10c—C11c—H78	61.522 (10)
H34—C2b—C3b—H36	−172.466 (11)	H77—C10c—C11c—H79	−178.423 (4)
C2b—C3b—C4b—C5b	−173.581 (3)	C10c—C11c—C12c—C13c	−179.800 (4)
C2b—C3b—C4b—H37	−53.032 (15)	C10c—C11c—C12c—H80	−59.584 (6)
C2b—C3b—C4b—H38	65.868 (13)	C10c—C11c—C12c—H81	59.989 (6)
H35—C3b—C4b—C5b	65.872 (18)	H78—C11c—C12c—C13c	60.226 (4)
H35—C3b—C4b—H37	−173.58 (3)	H78—C11c—C12c—H80	−179.558 (7)
H35—C3b—C4b—H38	−54.679 (17)	H78—C11c—C12c—H81	−59.985 (10)
H36—C3b—C4b—C5b	−53.031 (18)	H79—C11c—C12c—C13c	−59.839 (7)
H36—C3b—C4b—H37	67.52 (2)	H79—C11c—C12c—H80	60.378 (8)
H36—C3b—C4b—H38	−173.58 (2)	H79—C11c—C12c—H81	179.951 (6)
C3b—C4b—C5b—C6b	−175.634 (6)	C11c—C12c—C13c—C14c	−177.1844 (15)
C3b—C4b—C5b—H39	−54.795 (7)	C11c—C12c—C13c—H82	−56.442 (7)
C3b—C4b—C5b—H40	63.543 (8)	C11c—C12c—C13c—H83	62.077 (5)
H37—C4b—C5b—C6b	63.827 (5)	H80—C12c—C13c—C14c	62.598 (8)
H37—C4b—C5b—H39	−175.334 (6)	H80—C12c—C13c—H82	−176.6600 (15)
H37—C4b—C5b—H40	−56.997 (7)	H80—C12c—C13c—H83	−58.141 (9)
H38—C4b—C5b—C6b	−55.091 (12)	H81—C12c—C13c—C14c	−56.958 (5)
H38—C4b—C5b—H39	65.748 (17)	H81—C12c—C13c—H82	63.784 (7)
H38—C4b—C5b—H40	−175.914 (18)	H81—C12c—C13c—H83	−177.697 (3)
C4b—C5b—C6b—C7b	−177.907 (4)	C12c—C13c—C14c—H84	−59.998 (4)
C4b—C5b—C6b—H41	−57.19 (2)	C12c—C13c—C14c—H85	60.001 (4)
C4b—C5b—C6b—H42	61.355 (14)	C12c—C13c—C14c—H86	179.998 (4)
H39—C5b—C6b—C7b	61.247 (15)	H82—C13c—C14c—H84	179.271 (5)
H39—C5b—C6b—H41	−178.038 (12)	H82—C13c—C14c—H85	−60.731 (6)
H39—C5b—C6b—H42	−59.49 (2)	H82—C13c—C14c—H86	59.266 (5)
H40—C5b—C6b—C7b	−57.05 (2)	H83—C13c—C14c—H84	60.736 (4)
H40—C5b—C6b—H41	63.66 (3)	H83—C13c—C14c—H85	−179.265 (2)
H40—C5b—C6b—H42	−177.79 (2)	H83—C13c—C14c—H86	−59.268 (5)
C5b—C6b—C7b—C8b	−175.746 (4)

(SSS) β-1,2,3-tri-octadecanoyl-glycerol

Crystal data

C57H110O6	γ = 117.691 (5)°
Mr = 891.50	V = 2879.6 (3) Å^3
Triclinic, P1	Z = 2
Hall symbol: -p 1	Synchrotron radiation, λ = 0.650515 Å
a = 12.0053 (7) Å	µ = 0.05 mm^−1
b = 51.902 (2) Å	T = 293 K
c = 5.4450 (3) Å	white
α = 73.752 (5)°	cylinder, ? × 1.5 mm mm
β = 100.256 (6)°

Data collection

ESRF BM16 diffractometer	Data collection mode: transmission
Radiation source: synchrotron	Scan method: continuous
Specimen mounting: capillary	2θmin = 1.000°, 2θmax = 30.000°, 2θstep = 0.004°

Refinement

Refinement on Inet	Profile function: split-type pseudo-Voigt
Rp = 6.0	906 parameters
Rwp = 10.2	323 restraints
Rexp = ?	H-atom parameters not refined
RBragg = 4.1
R(F^2) = 5.5	Background function: polynomal
χ^2 = 19.360	Preferred orientation correction: 'Ahtee and Jarvinen'
9450 data points

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq
C1	0.37500	0.48300	0.23200	0.04600*
C2	0.33200	0.50500	0.05100	0.04600*
C3	0.19400	0.49200	−0.03200	0.04600*
O1a	0.34300	0.46000	0.09600	0.05600*
C1a	0.32000	0.43200	0.24100	0.04600*
O2a	0.32300	0.42700	0.48400	0.05600*
C2a	0.27500	0.40900	0.08100	0.04600*
C3a	0.29900	0.38200	0.23100	0.04600*
C4a	0.25900	0.36000	0.07400	0.04600*
C5a	0.29400	0.33500	0.20100	0.04600*
C6a	0.24800	0.31000	0.04900	0.04600*
C7a	0.28600	0.28600	0.18200	0.04600*
C8a	0.24400	0.26100	0.04000	0.04600*
C9a	0.28100	0.23500	0.18400	0.04600*
C10a	0.23800	0.21200	0.03600	0.04600*
C11a	0.27200	0.18700	0.16600	0.04600*
C12a	0.22300	0.16200	0.01800	0.04600*
C13a	0.26600	0.13700	0.16100	0.04600*
C14a	0.22000	0.11200	0.01100	0.04600*
C15a	0.24100	0.08500	0.14700	0.04600*
C16a	0.20500	0.06200	−0.02200	0.04600*
C17a	0.24400	0.03800	0.12600	0.04600*
C18a	0.19900	0.01200	−0.00700	0.04600*
O1b	0.34800	0.52500	0.21400	0.05600*
C1b	0.37000	0.55300	0.07300	0.04600*
O2b	0.37400	0.56100	−0.16700	0.05600*
C2b	0.38600	0.57400	0.23800	0.04600*
C3b	0.35800	0.60000	0.09000	0.04600*
C4b	0.39800	0.62300	0.25600	0.04600*
C5b	0.36700	0.64900	0.12600	0.04600*
C6b	0.40700	0.67200	0.27800	0.04600*
C7b	0.37300	0.69800	0.13800	0.04600*
C8b	0.41100	0.72100	0.29900	0.04600*
C9b	0.38600	0.74700	0.15300	0.04600*
C10b	0.42200	0.77000	0.30800	0.04600*
C11b	0.39300	0.79700	0.17100	0.04600*
C12b	0.43500	0.82100	0.31700	0.04600*
C13b	0.40500	0.84700	0.18100	0.04600*
C14b	0.44100	0.87000	0.33800	0.04600*
C15b	0.40600	0.89600	0.18800	0.04600*
C16b	0.44400	0.92100	0.33700	0.04600*
C17b	0.41700	0.94600	0.18000	0.04600*
C18b	0.45800	0.97000	0.33900	0.04600*
O1c	0.11500	0.47200	0.18300	0.05600*
C1c	−0.00200	0.46000	0.16400	0.04600*
O2c	−0.05600	0.46500	−0.04900	0.05600*
C2c	−0.07300	0.44200	0.40800	0.04600*
C3c	−0.02400	0.41900	0.56000	0.04600*
C4c	−0.06000	0.39600	0.39900	0.04600*
C5c	−0.02500	0.37000	0.54400	0.04600*
C6c	−0.07200	0.34500	0.39600	0.04600*
C7c	−0.04000	0.32000	0.53500	0.04600*
C8c	−0.08300	0.29500	0.39400	0.04600*
C9c	−0.04200	0.27000	0.52800	0.04600*
C10c	−0.09500	0.24500	0.38200	0.04600*
C11c	−0.05000	0.22100	0.51400	0.04600*
C12c	−0.10300	0.19600	0.37100	0.04600*
C13c	−0.05900	0.17100	0.49900	0.04600*
C14c	−0.10300	0.14700	0.35900	0.04600*
C15c	−0.06500	0.12200	0.48800	0.04600*
C16c	−0.11900	0.09600	0.33700	0.04600*
C17c	−0.07700	0.07300	0.47500	0.04600*
C18c	−0.11800	0.04800	0.33200	0.04600*
H1	0.46331	0.49238	0.27012	0.05000*
H2	0.33225	0.47483	0.38647	0.05000*
H3	0.38299	0.51558	−0.09224	0.05000*
H4	0.17083	0.50786	−0.10472	0.05000*
H5	0.18021	0.48106	−0.15710	0.05000*
H6	0.18729	0.40252	0.03887	0.05000*
H7	0.31921	0.41774	−0.07186	0.05000*
H8	0.38641	0.38859	0.27746	0.05000*
H9	0.25284	0.37293	0.38137	0.05000*
H10	0.17008	0.35191	0.04385	0.05000*
H11	0.29805	0.36978	−0.08478	0.05000*
H12	0.38323	0.34319	0.22348	0.05000*
H13	0.25847	0.32607	0.36368	0.05000*
H14	0.15868	0.30149	0.02767	0.05000*
H15	0.28295	0.31874	−0.11428	0.05000*
H16	0.37530	0.29473	0.20444	0.05000*
H17	0.25058	0.27736	0.34482	0.05000*
H18	0.15488	0.25265	0.01343	0.05000*
H19	0.28128	0.26958	−0.12092	0.05000*
H20	0.37006	0.24306	0.21099	0.05000*
H21	0.24346	0.22608	0.34465	0.05000*
H22	0.14892	0.20401	0.00983	0.05000*
H23	0.27523	0.22108	−0.12495	0.05000*
H24	0.36123	0.19494	0.18612	0.05000*
H25	0.23757	0.17849	0.32980	0.05000*
H26	0.13356	0.15335	0.00276	0.05000*
H27	0.25514	0.17038	−0.14791	0.05000*
H28	0.35540	0.14579	0.17976	0.05000*
H29	0.23224	0.12837	0.32542	0.05000*
H30	0.13208	0.10549	−0.02812	0.05000*
H31	0.26282	0.12048	−0.14354	0.05000*
H32	0.32765	0.09149	0.20081	0.05000*
H33	0.19152	0.07520	0.29275	0.05000*
H34	0.11659	0.05337	−0.06049	0.05000*
H35	0.24757	0.07180	−0.17682	0.05000*
H36	0.33335	0.04666	0.14640	0.05000*
H37	0.20958	0.03030	0.28962	0.05000*
H38	0.10962	0.00300	−0.02723	0.05000*
H39	0.23340	0.01936	−0.17044	0.05000*
H40	0.22619	−0.00241	0.09454	0.05000*
H41	0.33032	0.56294	0.37348	0.05000*
H42	0.47049	0.58171	0.30733	0.05000*
H43	0.40336	0.60933	−0.06146	0.05000*
H44	0.27024	0.59284	0.04544	0.05000*
H45	0.35573	0.61314	0.41116	0.05000*
H46	0.48642	0.63060	0.29327	0.05000*
H47	0.40759	0.65843	−0.03124	0.05000*
H48	0.27833	0.64130	0.09239	0.05000*
H49	0.36665	0.66273	0.43555	0.05000*
H50	0.49573	0.67992	0.31121	0.05000*
H51	0.41533	0.70768	−0.01716	0.05000*
H52	0.28455	0.69006	0.10033	0.05000*
H53	0.36410	0.71175	0.44838	0.05000*
H54	0.49838	0.72796	0.34719	0.05000*
H55	0.43324	0.75621	0.00408	0.05000*
H56	0.29868	0.73992	0.10398	0.05000*
H57	0.37746	0.76035	0.46047	0.05000*
H58	0.50999	0.77748	0.35061	0.05000*
H59	0.43354	0.80589	0.01364	0.05000*
H60	0.30441	0.78958	0.13731	0.05000*
H61	0.39497	0.81216	0.47494	0.05000*
H62	0.52370	0.82861	0.34959	0.05000*
H63	0.44921	0.85667	0.02812	0.05000*
H64	0.31692	0.83934	0.13910	0.05000*
H65	0.39762	0.86052	0.49194	0.05000*
H66	0.52927	0.87808	0.37817	0.05000*
H67	0.44762	0.90491	0.03190	0.05000*
H68	0.31742	0.88775	0.15176	0.05000*
H69	0.39794	0.91258	0.48726	0.05000*
H70	0.53164	0.92850	0.38361	0.05000*
H71	0.46261	0.95459	0.02904	0.05000*
H72	0.32932	0.93880	0.13445	0.05000*
H73	0.41238	0.96136	0.48997	0.05000*
H74	0.54567	0.97715	0.38456	0.05000*
H75	0.44096	0.98613	0.23948	0.05000*
H76	−0.06094	0.45520	0.51148	0.05000*
H77	−0.16026	0.43180	0.36341	0.05000*
H78	0.06495	0.42868	0.58815	0.05000*
H79	−0.06185	0.40941	0.72013	0.05000*
H80	−0.14829	0.38792	0.35903	0.05000*
H81	−0.01670	0.40572	0.24502	0.05000*
H82	0.06408	0.37790	0.56942	0.05000*
H83	−0.06175	0.36160	0.70546	0.05000*
H84	−0.16098	0.33726	0.36897	0.05000*
H85	−0.03453	0.35337	0.23530	0.05000*
H86	0.04894	0.32795	0.56423	0.05000*
H87	−0.07844	0.31161	0.69465	0.05000*
H88	−0.17242	0.28613	0.37570	0.05000*
H89	−0.04946	0.30366	0.22938	0.05000*
H90	0.04739	0.27838	0.53778	0.05000*
H91	−0.07167	0.26177	0.69605	0.05000*
H92	−0.18443	0.23615	0.37645	0.05000*
H93	−0.06732	0.25323	0.21238	0.05000*
H94	0.03941	0.22985	0.51854	0.05000*
H95	−0.07720	0.21289	0.68400	0.05000*
H96	−0.19238	0.18727	0.36697	0.05000*
H97	−0.07598	0.20429	0.20089	0.05000*
H98	0.03050	0.18007	0.51116	0.05000*
H99	−0.08973	0.16218	0.66605	0.05000*
H100	−0.19238	0.13850	0.34067	0.05000*
H101	−0.06940	0.15572	0.19445	0.05000*
H102	0.02436	0.13021	0.49986	0.05000*
H103	−0.09565	0.11367	0.65522	0.05000*
H104	−0.20845	0.08735	0.32577	0.05000*
H105	−0.08874	0.10398	0.16945	0.05000*
H106	0.01234	0.08221	0.49609	0.05000*
H107	−0.11181	0.06441	0.63843	0.05000*
H108	−0.20732	0.03851	0.31095	0.05000*
H109	−0.08317	0.05631	0.16861	0.05000*
H110	−0.08883	0.03375	0.42814	0.05000*

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
?	?	?	?	?	?	?

Geometric parameters (Å, º)

C1—H2	0.9500 (1)	C8b—H54	0.9501 (1)
C1—H1	0.9500 (1)	C8b—C9b	1.4948 (1)
C1—O1a	1.4452 (1)	C9b—H56	0.9500 (1)
C1—C2	1.5093 (1)	C9b—H55	0.9500 (1)
C2—H3	0.9500 (1)	C9b—C10b	1.5093 (1)
C2—O1b	1.4738 (1)	C10b—H58	0.9499 (1)
C2—C3	1.5064 (1)	C10b—H57	0.9500 (1)
C3—H5	0.9501 (1)	C10b—C11b	1.5548 (1)
C3—H4	0.9503 (1)	C11b—H60	0.9500 (1)
C3—O1c	1.4655 (1)	C11b—H59	0.9500 (1)
O1a—C1a	1.3690 (1)	C11b—C12b	1.5053 (1)
C1a—O2a	1.2724 (1)	C12b—H61	0.9499 (1)
C1a—C2a	1.5137 (1)	C12b—H62	0.9500 (1)
C2a—H7	0.9500 (1)	C12b—C13b	1.5155 (1)
C2a—H6	0.9501 (1)	C13b—H64	0.9500 (1)
C2a—C3a	1.5375 (1)	C13b—H63	0.9500 (1)
C3a—H8	0.9500 (1)	C13b—C14b	1.5175 (1)
C3a—H9	0.9500 (1)	C14b—H66	0.9499 (1)
C3a—C4a	1.4684 (1)	C14b—H65	0.9500 (1)
C4a—H11	0.9500 (1)	C14b—C15b	1.5662 (1)
C4a—H10	0.9500 (1)	C15b—H68	0.9500 (1)
C4a—C5a	1.4966 (1)	C15b—H67	0.9500 (1)
C5a—H13	0.9500 (1)	C15b—C16b	1.5672 (1)
C5a—H12	0.9500 (1)	C16b—H70	0.9500 (1)
C5a—C6a	1.5640 (1)	C16b—H69	0.9501 (1)
C6a—H14	0.9500 (1)	C16b—C17b	1.4803 (1)
C6a—H15	0.9500 (1)	C17b—H72	0.9500 (1)
C6a—C7a	1.4796 (1)	C17b—H71	0.9500 (1)
C7a—H16	0.9499 (1)	C17b—C18b	1.5574 (1)
C7a—H17	0.9500 (1)	C18b—H75	0.9498 (1)
C7a—C8a	1.5331 (1)	C18b—H74	0.9500 (1)
C8a—H19	0.9499 (1)	C18b—H73	0.9501 (1)
C8a—H18	0.9501 (1)	O1c—C1c	1.2421 (1)
C8a—C9a	1.5729 (1)	C1c—O2c	1.2462 (1)
C9a—H21	0.9500 (1)	C1c—C2c	1.5274 (1)
C9a—H20	0.9501 (1)	C2c—H76	0.9500 (1)
C9a—C10a	1.4692 (1)	C2c—H77	0.9501 (1)
C10a—H23	0.9500 (1)	C2c—C3c	1.5436 (1)
C10a—H22	0.9501 (1)	C3c—H78	0.9500 (1)
C10a—C11a	1.4923 (1)	C3c—H79	0.9500 (1)
C11a—H24	0.9500 (1)	C3c—C4c	1.5333 (1)
C11a—H25	0.9501 (1)	C4c—H81	0.9500 (1)
C11a—C12a	1.5444 (1)	C4c—H80	0.9501 (1)
C12a—H27	0.9500 (1)	C4c—C5c	1.5600 (1)
C12a—H26	0.9500 (1)	C5c—H82	0.9500 (1)
C12a—C13a	1.5718 (1)	C5c—H83	0.9500 (1)
C13a—H29	0.9500 (1)	C5c—C6c	1.5474 (1)
C13a—H28	0.9500 (1)	C6c—H84	0.9500 (1)
C13a—C14a	1.5564 (1)	C6c—H85	0.9500 (1)
C14a—H30	0.9500 (1)	C6c—C7c	1.4881 (1)
C14a—H31	0.9500 (1)	C7c—H87	0.9500 (1)
C14a—C15a	1.5023 (1)	C7c—H86	0.9500 (1)
C15a—H33	0.9500 (1)	C7c—C8c	1.5276 (1)
C15a—H32	0.9500 (1)	C8c—H89	0.9500 (1)
C15a—C16a	1.5661 (1)	C8c—H88	0.9500 (1)
C16a—H35	0.9499 (1)	C8c—C9c	1.5474 (1)
C16a—H34	0.9500 (1)	C9c—H90	0.9500 (1)
C16a—C17a	1.5052 (1)	C9c—H91	0.9500 (1)
C17a—H36	0.9499 (1)	C9c—C10c	1.5328 (1)
C17a—H37	0.9500 (1)	C10c—H92	0.9500 (1)
C17a—C18a	1.5387 (1)	C10c—H93	0.9500 (1)
C18a—H39	0.9500 (1)	C10c—C11c	1.5318 (1)
C18a—H38	0.9500 (1)	C11c—H95	0.9500 (1)
C18a—H40	0.9503 (1)	C11c—H94	0.9500 (1)
O1b—C1b	1.3646 (1)	C11c—C12c	1.5220 (1)
C1b—O2b	1.2580 (1)	C12c—H97	0.9500 (1)
C1b—C2b	1.5243 (1)	C12c—H96	0.9501 (1)
C2b—H42	0.9500 (1)	C12c—C13c	1.5648 (1)
C2b—H41	0.9500 (1)	C13c—H98	0.9500 (1)
C2b—C3b	1.5166 (1)	C13c—H99	0.9500 (1)
C3b—H43	0.9500 (1)	C13c—C14c	1.4790 (1)
C3b—H44	0.9500 (1)	C14c—H101	0.9500 (1)
C3b—C4b	1.5458 (1)	C14c—H100	0.9501 (1)
C4b—H46	0.9500 (1)	C14c—C15c	1.5203 (1)
C4b—H45	0.9501 (1)	C15c—H103	0.9500 (1)
C4b—C5b	1.5163 (1)	C15c—H102	0.9500 (1)
C5b—H48	0.9500 (1)	C15c—C16c	1.5923 (1)
C5b—H47	0.9500 (1)	C16c—H104	0.9499 (1)
C5b—C6b	1.4895 (1)	C16c—H105	0.9501 (1)
C6b—H49	0.9499 (1)	C16c—C17c	1.4720 (1)
C6b—H50	0.9500 (1)	C17c—H106	0.9500 (1)
C6b—C7b	1.5474 (1)	C17c—H107	0.9500 (1)
C7b—H52	0.9500 (1)	C17c—C18c	1.5387 (1)
C7b—H51	0.9500 (1)	C18c—H110	0.9497 (1)
C7b—C8b	1.5294 (1)	C18c—H109	0.9500 (1)
C8b—H53	0.9500 (1)	C18c—H108	0.9501 (1)
H2—C1—H1	109.470 (4)	H54—C8b—C7b	108.972 (3)
H2—C1—O1a	110.600 (4)	C9b—C8b—C7b	111.411 (4)
H2—C1—C2	110.613 (5)	H56—C9b—H55	109.468 (4)
H1—C1—O1a	110.601 (2)	H56—C9b—C8b	108.705 (3)
H1—C1—C2	110.611 (4)	H56—C9b—C10b	108.692 (2)
O1a—C1—C2	104.883 (4)	H55—C9b—C8b	108.681 (5)
H3—C2—O1b	111.318 (4)	H55—C9b—C10b	108.717 (4)
H3—C2—C3	111.326 (4)	C8b—C9b—C10b	112.543 (4)
H3—C2—C1	111.343 (5)	H58—C10b—H57	109.467 (4)
O1b—C2—C3	105.194 (4)	H58—C10b—C9b	108.068 (2)
O1b—C2—C1	102.227 (3)	H58—C10b—C11b	108.022 (3)
C3—C2—C1	114.887 (3)	H57—C10b—C9b	108.074 (4)
H5—C3—H4	109.481 (4)	H57—C10b—C11b	108.018 (5)
H5—C3—O1c	108.849 (4)	C9b—C10b—C11b	115.107 (4)
H5—C3—C2	108.848 (3)	H60—C11b—H59	109.463 (4)
H4—C3—O1c	108.839 (4)	H60—C11b—C12b	107.848 (3)
H4—C3—C2	108.843 (3)	H60—C11b—C10b	107.893 (3)
O1c—C3—C2	111.953 (4)	H59—C11b—C12b	107.854 (4)
C1a—O1a—C1	117.019 (4)	H59—C11b—C10b	107.888 (5)
O2a—C1a—O1a	119.863 (4)	C12b—C11b—C10b	115.792 (4)
O2a—C1a—C2a	126.795 (4)	H61—C12b—H62	109.462 (3)
O1a—C1a—C2a	112.769 (4)	H61—C12b—C11b	108.083 (5)
H7—C2a—H6	109.462 (4)	H61—C12b—C13b	108.090 (5)
H7—C2a—C1a	109.276 (4)	H62—C12b—C11b	108.1032 (17)
H7—C2a—C3a	109.286 (5)	H62—C12b—C13b	108.061 (3)
H6—C2a—C1a	109.2712 (17)	C11b—C12b—C13b	114.960 (4)
H6—C2a—C3a	109.282 (3)	H64—C13b—H63	109.471 (4)
C1a—C2a—C3a	110.249 (4)	H64—C13b—C12b	108.300 (3)
H8—C3a—H9	109.470 (4)	H64—C13b—C14b	108.315 (3)
H8—C3a—C4a	109.1884 (17)	H63—C13b—C12b	108.288 (5)
H8—C3a—C2a	109.227 (3)	H63—C13b—C14b	108.324 (4)
H9—C3a—C4a	109.195 (4)	C12b—C13b—C14b	114.081 (3)
H9—C3a—C2a	109.222 (4)	H66—C14b—H65	109.462 (5)
C4a—C3a—C2a	110.521 (4)	H66—C14b—C13b	108.978 (2)
H11—C4a—H10	109.467 (4)	H66—C14b—C15b	108.963 (3)
H11—C4a—C3a	108.757 (4)	H65—C14b—C13b	108.972 (4)
H11—C4a—C5a	108.751 (5)	H65—C14b—C15b	108.965 (5)
H10—C4a—C3a	108.753 (3)	C13b—C14b—C15b	111.478 (4)
H10—C4a—C5a	108.752 (3)	H68—C15b—H67	109.463 (4)
C3a—C4a—C5a	112.329 (4)	H68—C15b—C14b	108.296 (3)
H13—C5a—H12	109.464 (4)	H68—C15b—C16b	108.3389 (18)
H13—C5a—C4a	108.146 (4)	H67—C15b—C14b	108.304 (5)
H13—C5a—C6a	108.139 (4)	H67—C15b—C16b	108.324 (4)
H12—C5a—C4a	108.139 (4)	C14b—C15b—C16b	114.054 (4)
H12—C5a—C6a	108.1438 (18)	H70—C16b—H69	109.464 (4)
C4a—C5a—C6a	114.732 (4)	H70—C16b—C17b	108.874 (3)
H14—C6a—H15	109.466 (4)	H70—C16b—C15b	108.889 (2)
H14—C6a—C7a	108.745 (3)	H69—C16b—C17b	108.865 (4)
H14—C6a—C5a	108.696 (3)	H69—C16b—C15b	108.891 (4)
H15—C6a—C7a	108.717 (5)	C17b—C16b—C15b	111.832 (4)
H15—C6a—C5a	108.720 (4)	H72—C17b—H71	109.468 (4)
C7a—C6a—C5a	112.463 (4)	H72—C17b—C16b	109.587 (3)
H16—C7a—H17	109.466 (4)	H72—C17b—C18b	109.614 (3)
H16—C7a—C6a	108.193 (4)	H71—C17b—C16b	109.593 (5)
H16—C7a—C8a	108.167 (3)	H71—C17b—C18b	109.607 (4)
H17—C7a—C6a	108.187 (5)	C16b—C17b—C18b	108.958 (4)
H17—C7a—C8a	108.171 (4)	H75—C18b—H74	109.476 (3)
C6a—C7a—C8a	114.583 (3)	H75—C18b—H73	109.480 (4)
H19—C8a—H18	109.461 (4)	H75—C18b—C17b	109.464 (4)
H19—C8a—C7a	108.131 (5)	H74—C18b—H73	109.467 (4)
H19—C8a—C9a	108.124 (4)	H74—C18b—C17b	109.474 (2)
H18—C8a—C7a	108.1313 (18)	H73—C18b—C17b	109.467 (4)
H18—C8a—C9a	108.118 (3)	C1c—O1c—C3	123.584 (4)
C7a—C8a—C9a	114.798 (4)	O1c—C1c—O2c	118.699 (4)
H21—C9a—H20	109.461 (4)	O1c—C1c—C2c	118.226 (4)
H21—C9a—C10a	108.929 (4)	O2c—C1c—C2c	122.846 (4)
H21—C9a—C8a	108.950 (5)	H76—C2c—H77	109.454 (3)
H20—C9a—C10a	108.918 (3)	H76—C2c—C1c	109.240 (4)
H20—C9a—C8a	108.955 (3)	H76—C2c—C3c	109.241 (4)
C10a—C9a—C8a	111.604 (4)	H77—C2c—C1c	109.238 (4)
H23—C10a—H22	109.470 (4)	H77—C2c—C3c	109.242 (4)
H23—C10a—C9a	108.548 (5)	C1c—C2c—C3c	110.410 (5)
H23—C10a—C11a	108.520 (5)	H78—C3c—H79	109.464 (4)
H22—C10a—C9a	108.5325 (17)	H78—C3c—C4c	110.008 (2)
H22—C10a—C11a	108.546 (3)	H78—C3c—C2c	110.017 (4)
C9a—C10a—C11a	113.180 (4)	H79—C3c—C4c	110.027 (4)
H24—C11a—H25	109.470 (4)	H79—C3c—C2c	110.006 (4)
H24—C11a—C10a	108.361 (4)	C4c—C3c—C2c	107.294 (4)
H24—C11a—C12a	108.3670 (18)	H81—C4c—H80	109.463 (4)
H25—C11a—C10a	108.335 (5)	H81—C4c—C3c	108.856 (4)
H25—C11a—C12a	108.385 (5)	H81—C4c—C5c	108.867 (5)
C10a—C11a—C12a	113.865 (3)	H80—C4c—C3c	108.867 (3)
H27—C12a—H26	109.468 (4)	H80—C4c—C5c	108.848 (3)
H27—C12a—C11a	109.058 (5)	C3c—C4c—C5c	111.913 (4)
H27—C12a—C13a	109.067 (5)	H82—C5c—H83	109.464 (4)
H26—C12a—C11a	109.0807 (18)	H82—C5c—C6c	108.635 (2)
H26—C12a—C13a	109.042 (3)	H82—C5c—C4c	108.643 (3)
C11a—C12a—C13a	111.106 (4)	H83—C5c—C6c	108.648 (4)
H29—C13a—H28	109.470 (4)	H83—C5c—C4c	108.633 (5)
H29—C13a—C14a	108.910 (4)	C6c—C5c—C4c	112.780 (4)
H29—C13a—C12a	108.887 (5)	H84—C6c—H85	109.468 (4)
H28—C13a—C14a	108.9031 (18)	H84—C6c—C7c	108.574 (4)
H28—C13a—C12a	108.894 (4)	H84—C6c—C5c	108.6195 (18)
C14a—C13a—C12a	111.751 (4)	H85—C6c—C7c	108.584 (5)
H30—C14a—H31	109.465 (4)	H85—C6c—C5c	108.613 (4)
H30—C14a—C15a	107.789 (3)	C7c—C6c—C5c	112.942 (4)
H30—C14a—C13a	107.805 (3)	H87—C7c—H86	109.465 (4)
H31—C14a—C15a	107.801 (5)	H87—C7c—C6c	108.146 (5)
H31—C14a—C13a	107.796 (4)	H87—C7c—C8c	108.146 (4)
C15a—C14a—C13a	116.073 (4)	H86—C7c—C6c	108.146 (3)
H33—C15a—H32	109.468 (4)	H86—C7c—C8c	108.138 (3)
H33—C15a—C14a	108.354 (5)	C6c—C7c—C8c	114.726 (3)
H33—C15a—C16a	108.362 (3)	H89—C8c—H88	109.466 (4)
H32—C15a—C14a	108.362 (2)	H89—C8c—C7c	108.036 (4)
H32—C15a—C16a	108.346 (3)	H89—C8c—C9c	108.055 (5)
C14a—C15a—C16a	113.891 (4)	H88—C8c—C7c	108.028 (3)
H35—C16a—H34	109.463 (4)	H88—C8c—C9c	108.057 (4)
H35—C16a—C17a	109.757 (5)	C7c—C8c—C9c	115.114 (4)
H35—C16a—C15a	109.744 (4)	H90—C9c—H91	109.468 (4)
H34—C16a—C17a	109.746 (3)	H90—C9c—C10c	108.926 (3)
H34—C16a—C15a	109.748 (3)	H90—C9c—C8c	108.870 (3)
C17a—C16a—C15a	108.366 (4)	H91—C9c—C10c	108.909 (4)
H36—C17a—H37	109.468 (4)	H91—C9c—C8c	108.884 (5)
H36—C17a—C16a	108.534 (3)	C10c—C9c—C8c	111.759 (4)
H36—C17a—C18a	108.552 (3)	H92—C10c—H93	109.461 (4)
H37—C17a—C16a	108.545 (4)	H92—C10c—C11c	109.146 (3)
H37—C17a—C18a	108.536 (5)	H92—C10c—C9c	109.154 (3)
C16a—C17a—C18a	113.162 (4)	H93—C10c—C11c	109.125 (5)
H39—C18a—H38	109.471 (4)	H93—C10c—C9c	109.174 (5)
H39—C18a—H40	109.480 (4)	C11c—C10c—C9c	110.763 (3)
H39—C18a—C17a	109.455 (4)	H95—C11c—H94	109.464 (4)
H38—C18a—H40	109.473 (3)	H95—C11c—C12c	109.091 (5)
H38—C18a—C17a	109.4675 (18)	H95—C11c—C10c	109.066 (5)
H40—C18a—C17a	109.481 (3)	H94—C11c—C12c	109.075 (3)
C1b—O1b—C2	111.693 (4)	H94—C11c—C10c	109.075 (4)
O2b—C1b—O1b	124.940 (4)	C12c—C11c—C10c	111.050 (4)
O2b—C1b—C2b	122.527 (3)	H97—C12c—H96	109.460 (4)
O1b—C1b—C2b	112.511 (4)	H97—C12c—C11c	108.622 (5)
H42—C2b—H41	109.463 (4)	H97—C12c—C13c	108.665 (4)
H42—C2b—C3b	108.539 (3)	H96—C12c—C11c	108.634 (3)
H42—C2b—C1b	108.582 (4)	H96—C12c—C13c	108.648 (3)
H41—C2b—C3b	108.551 (4)	C11c—C12c—C13c	112.772 (4)
H41—C2b—C1b	108.573 (3)	H98—C13c—H99	109.464 (5)
C3b—C2b—C1b	113.090 (4)	H98—C13c—C14c	108.181 (3)
H43—C3b—H44	109.466 (4)	H98—C13c—C12c	108.161 (3)
H43—C3b—C2b	109.353 (5)	H99—C13c—C14c	108.169 (5)
H43—C3b—C4b	109.329 (4)	H99—C13c—C12c	108.174 (5)
H44—C3b—C2b	109.357 (3)	C14c—C13c—C12c	114.617 (4)
H44—C3b—C4b	109.323 (3)	H101—C14c—H100	109.466 (4)
C2b—C3b—C4b	109.998 (4)	H101—C14c—C13c	108.120 (5)
H46—C4b—H45	109.468 (4)	H101—C14c—C15c	108.104 (5)
H46—C4b—C5b	108.549 (3)	H100—C14c—C13c	108.132 (2)
H46—C4b—C3b	108.522 (2)	H100—C14c—C15c	108.086 (3)
H45—C4b—C5b	108.533 (5)	C13c—C14c—C15c	114.854 (3)
H45—C4b—C3b	108.528 (4)	H103—C15c—H102	109.460 (4)
C5b—C4b—C3b	113.196 (4)	H103—C15c—C14c	108.536 (5)
H48—C5b—H47	109.470 (4)	H103—C15c—C16c	108.527 (5)
H48—C5b—C6b	108.183 (3)	H102—C15c—C14c	108.543 (3)
H48—C5b—C4b	108.130 (3)	H102—C15c—C16c	108.5145 (18)
H47—C5b—C6b	108.165 (4)	C14c—C15c—C16c	113.215 (3)
H47—C5b—C4b	108.144 (5)	H104—C16c—H105	109.470 (4)
C6b—C5b—C4b	114.674 (4)	H104—C16c—C17c	109.497 (4)
H49—C6b—H50	109.463 (4)	H104—C16c—C15c	109.538 (3)
H49—C6b—C5b	108.641 (4)	H105—C16c—C17c	109.515 (4)
H49—C6b—C7b	108.644 (5)	H105—C16c—C15c	109.513 (5)
H50—C6b—C5b	108.646 (3)	C17c—C16c—C15c	109.294 (4)
H50—C6b—C7b	108.634 (3)	H106—C17c—H107	109.466 (4)
C5b—C6b—C7b	112.775 (4)	H106—C17c—C16c	108.681 (3)
H52—C7b—H51	109.461 (4)	H106—C17c—C18c	108.6929 (18)
H52—C7b—C8b	108.7347 (18)	H107—C17c—C16c	108.684 (5)
H52—C7b—C6b	108.777 (3)	H107—C17c—C18c	108.693 (5)
H51—C7b—C8b	108.749 (5)	C16c—C17c—C18c	112.589 (4)
H51—C7b—C6b	108.761 (5)	H110—C18c—H109	109.505 (4)
C8b—C7b—C6b	112.326 (4)	H110—C18c—H108	109.503 (4)
H53—C8b—H54	109.469 (4)	H110—C18c—C17c	109.463 (4)
H53—C8b—C9b	108.984 (5)	H109—C18c—H108	109.467 (4)
H53—C8b—C7b	108.984 (4)	H109—C18c—C17c	109.448 (5)
H54—C8b—C9b	108.999 (3)	H108—C18c—C17c	109.4424 (18)
O1a—C1—C2—C3	57.916 (2)	C7b—C8b—C9b—H55	−59.848 (11)
O1a—C1—C2—O1b	171.254 (3)	C7b—C8b—C9b—H56	59.224 (11)
O1a—C1—C2—H3	−69.796 (15)	H53—C8b—C9b—C10b	59.388 (16)
H1—C1—C2—C3	177.185 (9)	H53—C8b—C9b—H55	179.859 (11)
H1—C1—C2—O1b	−69.477 (10)	H53—C8b—C9b—H56	−61.069 (11)
H1—C1—C2—H3	49.47 (2)	H54—C8b—C9b—C10b	−60.032 (12)
H2—C1—C2—C3	−61.353 (17)	H54—C8b—C9b—H55	60.439 (18)
H2—C1—C2—O1b	51.985 (19)	H54—C8b—C9b—H56	179.511 (17)
H2—C1—C2—H3	170.935 (10)	C8b—C9b—C10b—C11b	−177.496 (6)
C2—C1—O1a—C1a	−152.545 (3)	C8b—C9b—C10b—H57	−56.68 (2)
H1—C1—O1a—C1a	88.179 (16)	C8b—C9b—C10b—H58	61.69 (4)
H2—C1—O1a—C1a	−33.267 (14)	H55—C9b—C10b—C11b	62.05 (2)
C1—C2—C3—O1c	43.877 (15)	H55—C9b—C10b—H57	−177.13 (3)
C1—C2—C3—H4	164.237 (10)	H55—C9b—C10b—H58	−58.76 (5)
C1—C2—C3—H5	−76.498 (15)	H56—C9b—C10b—C11b	−57.03 (3)
O1b—C2—C3—O1c	−67.710 (18)	H56—C9b—C10b—H57	63.78 (4)
O1b—C2—C3—H4	52.650 (14)	H56—C9b—C10b—H58	−177.85 (3)
O1b—C2—C3—H5	171.915 (15)	C9b—C10b—C11b—C12b	−176.656 (4)
H3—C2—C3—O1c	171.598 (17)	C9b—C10b—C11b—H59	−55.739 (14)
H3—C2—C3—H4	−68.042 (19)	C9b—C10b—C11b—H60	62.432 (14)
H3—C2—C3—H5	51.22 (2)	H57—C10b—C11b—C12b	62.501 (16)
C1—C2—O1b—C1b	152.325 (6)	H57—C10b—C11b—H59	−176.583 (12)
C3—C2—O1b—C1b	−87.340 (10)	H57—C10b—C11b—H60	−58.411 (14)
H3—C2—O1b—C1b	33.357 (9)	H58—C10b—C11b—C12b	−55.816 (12)
C2—C3—O1c—C1c	175.828 (15)	H58—C10b—C11b—H59	65.100 (14)
H4—C3—O1c—C1c	55.466 (12)	H58—C10b—C11b—H60	−176.73 (2)
H5—C3—O1c—C1c	−63.797 (15)	C10b—C11b—C12b—C13b	−179.571 (5)
C1—O1a—C1a—O2a	2.452 (8)	C10b—C11b—C12b—H61	−58.756 (14)
C1—O1a—C1a—C2a	174.352 (7)	C10b—C11b—C12b—H62	59.64 (3)
O1a—C1a—C2a—C3a	158.331 (4)	H59—C11b—C12b—C13b	59.496 (16)
O1a—C1a—C2a—H6	−81.547 (14)	H59—C11b—C12b—H61	−179.69 (2)
O1a—C1a—C2a—H7	38.201 (15)	H59—C11b—C12b—H62	−61.30 (3)
O2a—C1a—C2a—C3a	−30.446 (16)	H60—C11b—C12b—C13b	−58.63 (3)
O2a—C1a—C2a—H6	89.68 (3)	H60—C11b—C12b—H61	62.18 (3)
O2a—C1a—C2a—H7	−150.576 (8)	H60—C11b—C12b—H62	−179.43 (3)
C1a—C2a—C3a—C4a	−178.317 (4)	C11b—C12b—C13b—C14b	176.489 (7)
C1a—C2a—C3a—H8	−58.169 (12)	C11b—C12b—C13b—H63	−62.821 (17)
C1a—C2a—C3a—H9	61.531 (8)	C11b—C12b—C13b—H64	55.802 (18)
H6—C2a—C3a—C4a	61.568 (11)	H61—C12b—C13b—C14b	55.678 (9)
H6—C2a—C3a—H8	−178.285 (4)	H61—C12b—C13b—H63	176.368 (14)
H6—C2a—C3a—H9	−58.585 (17)	H61—C12b—C13b—H64	−65.01 (2)
H7—C2a—C3a—C4a	−58.193 (6)	H62—C12b—C13b—C14b	−62.694 (11)
H7—C2a—C3a—H8	61.954 (15)	H62—C12b—C13b—H63	58.00 (3)
H7—C2a—C3a—H9	−178.346 (7)	H62—C12b—C13b—H64	176.62 (2)
C2a—C3a—C4a—C5a	173.480 (3)	C12b—C13b—C14b—C15b	−179.281 (4)
C2a—C3a—C4a—H10	−66.092 (17)	C12b—C13b—C14b—H65	−58.98 (2)
C2a—C3a—C4a—H11	53.050 (6)	C12b—C13b—C14b—H66	60.414 (13)
H8—C3a—C4a—C5a	53.309 (11)	H63—C13b—C14b—C15b	60.05 (3)
H8—C3a—C4a—H10	173.738 (17)	H63—C13b—C14b—H65	−179.65 (2)
H8—C3a—C4a—H11	−67.120 (14)	H63—C13b—C14b—H66	−60.25 (3)
H9—C3a—C4a—C5a	−66.351 (17)	H64—C13b—C14b—C15b	−58.60 (2)
H9—C3a—C4a—H10	54.077 (10)	H64—C13b—C14b—H65	61.70 (4)
H9—C3a—C4a—H11	173.219 (16)	H64—C13b—C14b—H66	−178.907 (14)
C3a—C4a—C5a—C6a	177.118 (4)	C13b—C14b—C15b—C16b	−178.479 (3)
C3a—C4a—C5a—H12	−62.105 (6)	C13b—C14b—C15b—H67	−57.796 (11)
C3a—C4a—C5a—H13	56.343 (11)	C13b—C14b—C15b—H68	60.825 (18)
H10—C4a—C5a—C6a	56.690 (5)	H65—C14b—C15b—C16b	61.215 (16)
H10—C4a—C5a—H12	177.466 (6)	H65—C14b—C15b—H67	−178.10 (2)
H10—C4a—C5a—H13	−64.086 (10)	H65—C14b—C15b—H68	−59.481 (10)
H11—C4a—C5a—C6a	−62.448 (6)	H66—C14b—C15b—C16b	−58.165 (5)
H11—C4a—C5a—H12	58.328 (7)	H66—C14b—C15b—H67	62.518 (12)
H11—C4a—C5a—H13	176.777 (7)	H66—C14b—C15b—H68	−178.861 (17)
C4a—C5a—C6a—C7a	179.529 (3)	C14b—C15b—C16b—C17b	176.004 (11)
C4a—C5a—C6a—H14	−60.005 (14)	C14b—C15b—C16b—H69	−63.65 (3)
C4a—C5a—C6a—H15	59.082 (8)	C14b—C15b—C16b—H70	55.65 (3)
H12—C5a—C6a—C7a	58.755 (13)	H67—C15b—C16b—C17b	55.332 (17)
H12—C5a—C6a—H14	179.221 (10)	H67—C15b—C16b—H69	175.68 (4)
H12—C5a—C6a—H15	−61.692 (10)	H67—C15b—C16b—H70	−65.03 (3)
H13—C5a—C6a—C7a	−59.692 (10)	H68—C15b—C16b—C17b	−63.32 (4)
H13—C5a—C6a—H14	60.773 (18)	H68—C15b—C16b—H69	57.02 (7)
H13—C5a—C6a—H15	179.860 (13)	H68—C15b—C16b—H70	176.32 (3)
C5a—C6a—C7a—C8a	−179.593 (3)	C15b—C16b—C17b—C18b	−179.552 (6)
C5a—C6a—C7a—H16	−58.846 (8)	C15b—C16b—C17b—H71	−59.63 (2)
C5a—C6a—C7a—H17	59.657 (6)	C15b—C16b—C17b—H72	60.52 (2)
H14—C6a—C7a—C8a	59.968 (6)	H69—C16b—C17b—C18b	60.085 (18)
H14—C6a—C7a—H16	−179.284 (6)	H69—C16b—C17b—H71	−179.99 (3)
H14—C6a—C7a—H17	−60.781 (3)	H69—C16b—C17b—H72	−59.85 (3)
H15—C6a—C7a—C8a	−59.145 (7)	H70—C16b—C17b—C18b	−59.186 (16)
H15—C6a—C7a—H16	61.603 (8)	H70—C16b—C17b—H71	60.74 (3)
H15—C6a—C7a—H17	−179.894 (7)	H70—C16b—C17b—H72	−179.12 (3)
C6a—C7a—C8a—C9a	−178.435 (2)	C16b—C17b—C18b—H73	−60.00 (2)
C6a—C7a—C8a—H18	−57.654 (11)	C16b—C17b—C18b—H74	60.00 (2)
C6a—C7a—C8a—H19	60.778 (6)	C16b—C17b—C18b—H75	179.999 (5)
H16—C7a—C8a—C9a	60.803 (11)	H71—C17b—C18b—H73	−179.91 (3)
H16—C7a—C8a—H18	−178.416 (9)	H71—C17b—C18b—H74	−59.92 (3)
H16—C7a—C8a—H19	−59.984 (14)	H71—C17b—C18b—H75	60.08 (2)
H17—C7a—C8a—C9a	−57.677 (4)	H72—C17b—C18b—H73	59.92 (3)
H17—C7a—C8a—H18	63.104 (11)	H72—C17b—C18b—H74	179.91 (3)
H17—C7a—C8a—H19	−178.464 (6)	H72—C17b—C18b—H75	−60.086 (17)
C7a—C8a—C9a—C10a	−179.822 (2)	C3—O1c—C1c—O2c	0.332 (11)
C7a—C8a—C9a—H20	−59.511 (5)	C3—O1c—C1c—C2c	−174.336 (14)
C7a—C8a—C9a—H21	59.855 (4)	O1c—C1c—C2c—C3c	−51.515 (9)
H18—C8a—C9a—C10a	59.390 (6)	O1c—C1c—C2c—H76	68.637 (19)
H18—C8a—C9a—H20	179.702 (3)	O1c—C1c—C2c—H77	−171.67 (2)
H18—C8a—C9a—H21	−60.933 (8)	O2c—C1c—C2c—C3c	134.053 (6)
H19—C8a—C9a—C10a	−59.031 (7)	O2c—C1c—C2c—H76	−105.796 (9)
H19—C8a—C9a—H20	61.280 (7)	O2c—C1c—C2c—H77	13.90 (2)
H19—C8a—C9a—H21	−179.354 (5)	C1c—C2c—C3c—C4c	−66.670 (6)
C8a—C9a—C10a—C11a	179.6958	C1c—C2c—C3c—H78	52.988 (8)
C8a—C9a—C10a—H22	−59.743 (5)	C1c—C2c—C3c—H79	173.655 (7)
C8a—C9a—C10a—H23	59.156 (10)	H76—C2c—C3c—C4c	173.179 (6)
H20—C9a—C10a—C11a	59.362 (9)	H76—C2c—C3c—H78	−67.163 (14)
H20—C9a—C10a—H22	179.923 (5)	H76—C2c—C3c—H79	53.504 (9)
H20—C9a—C10a—H23	−61.178 (11)	H77—C2c—C3c—C4c	53.478 (12)
H21—C9a—C10a—C11a	−59.970 (9)	H77—C2c—C3c—H78	173.136 (13)
H21—C9a—C10a—H22	60.591 (6)	H77—C2c—C3c—H79	−66.196 (16)
H21—C9a—C10a—H23	179.491 (9)	C2c—C3c—C4c—C5c	−175.235 (4)
C9a—C10a—C11a—C12a	177.736 (3)	C2c—C3c—C4c—H80	−54.87 (2)
C9a—C10a—C11a—H24	−61.608 (7)	C2c—C3c—C4c—H81	64.387 (17)
C9a—C10a—C11a—H25	57.076 (4)	H78—C3c—C4c—C5c	65.101 (12)
H22—C10a—C11a—C12a	57.183 (6)	H78—C3c—C4c—H80	−174.538 (15)
H22—C10a—C11a—H24	177.8387 (15)	H78—C3c—C4c—H81	−55.276 (18)
H22—C10a—C11a—H25	−63.478 (9)	H79—C3c—C4c—C5c	−55.574 (9)
H23—C10a—C11a—C12a	−61.708 (9)	H79—C3c—C4c—H80	64.79 (2)
H23—C10a—C11a—H24	58.948 (12)	H79—C3c—C4c—H81	−175.952 (11)
H23—C10a—C11a—H25	177.631 (5)	C3c—C4c—C5c—C6c	174.457 (3)
C10a—C11a—C12a—C13a	178.104 (2)	C3c—C4c—C5c—H82	−65.049 (8)
C10a—C11a—C12a—H26	−61.660 (11)	C3c—C4c—C5c—H83	53.955 (7)
C10a—C11a—C12a—H27	57.851 (6)	H80—C4c—C5c—C6c	54.084 (9)
H24—C11a—C12a—C13a	57.451 (8)	H80—C4c—C5c—H82	174.578 (9)
H24—C11a—C12a—H26	177.688 (6)	H80—C4c—C5c—H83	−66.418 (10)
H24—C11a—C12a—H27	−62.801 (10)	H81—C4c—C5c—C6c	−65.172 (13)
H25—C11a—C12a—C13a	−61.263 (3)	H81—C4c—C5c—H82	55.322 (15)
H25—C11a—C12a—H26	58.973 (10)	H81—C4c—C5c—H83	174.326 (12)
H25—C11a—C12a—H27	178.484 (4)	C4c—C5c—C6c—C7c	−179.380 (4)
C11a—C12a—C13a—C14a	−178.666 (3)	C4c—C5c—C6c—H84	−58.875 (17)
C11a—C12a—C13a—H28	−58.320 (4)	C4c—C5c—C6c—H85	60.109 (17)
C11a—C12a—C13a—H29	60.984 (5)	H82—C5c—C6c—C7c	60.122 (15)
H26—C12a—C13a—C14a	61.074 (4)	H82—C5c—C6c—H84	−179.373 (16)
H26—C12a—C13a—H28	−178.5795 (15)	H82—C5c—C6c—H85	−60.39 (3)
H26—C12a—C13a—H29	−59.275 (9)	H83—C5c—C6c—C7c	−58.886 (6)
H27—C12a—C13a—C14a	−58.419 (4)	H83—C5c—C6c—H84	61.62 (2)
H27—C12a—C13a—H28	61.927 (8)	H83—C5c—C6c—H85	−179.397 (15)
H27—C12a—C13a—H29	−178.769 (4)	C5c—C6c—C7c—C8c	−179.165 (4)
C12a—C13a—C14a—C15a	−172.154 (2)	C5c—C6c—C7c—H86	−58.396 (10)
C12a—C13a—C14a—H30	−51.198 (8)	C5c—C6c—C7c—H87	60.056 (6)
C12a—C13a—C14a—H31	66.880 (7)	H84—C6c—C7c—C8c	60.304 (9)
H28—C13a—C14a—C15a	67.505 (6)	H84—C6c—C7c—H86	−178.927 (7)
H28—C13a—C14a—H30	−171.539 (10)	H84—C6c—C7c—H87	−60.475 (6)
H28—C13a—C14a—H31	−53.461 (5)	H85—C6c—C7c—C8c	−58.637 (8)
H29—C13a—C14a—C15a	−51.818 (7)	H85—C6c—C7c—H86	62.132 (12)
H29—C13a—C14a—H30	69.138 (6)	H85—C6c—C7c—H87	−179.416 (8)
H29—C13a—C14a—H31	−172.784 (4)	C6c—C7c—C8c—C9c	175.868 (3)
C13a—C14a—C15a—C16a	−174.401 (3)	C6c—C7c—C8c—H88	−63.298 (11)
C13a—C14a—C15a—H32	−53.754 (5)	C6c—C7c—C8c—H89	55.030 (7)
C13a—C14a—C15a—H33	64.938 (4)	H86—C7c—C8c—C9c	55.094 (14)
H30—C14a—C15a—C16a	64.634 (5)	H86—C7c—C8c—H88	175.928 (8)
H30—C14a—C15a—H32	−174.719 (4)	H86—C7c—C8c—H89	−65.743 (18)
H30—C14a—C15a—H33	−56.027 (7)	H87—C7c—C8c—C9c	−63.353 (6)
H31—C14a—C15a—C16a	−53.438 (5)	H87—C7c—C8c—H88	57.480 (15)
H31—C14a—C15a—H32	67.209 (6)	H87—C7c—C8c—H89	175.809 (6)
H31—C14a—C15a—H33	−174.099 (3)	C7c—C8c—C9c—C10c	176.842 (5)
C14a—C15a—C16a—C17a	173.7064 (15)	C7c—C8c—C9c—H90	−62.794 (9)
C14a—C15a—C16a—H34	−66.464 (8)	C7c—C8c—C9c—H91	56.491 (7)
C14a—C15a—C16a—H35	53.866 (5)	H88—C8c—C9c—C10c	56.024 (9)
H32—C15a—C16a—C17a	53.051 (10)	H88—C8c—C9c—H90	176.388 (10)
H32—C15a—C16a—H34	172.880 (3)	H88—C8c—C9c—H91	−64.327 (12)
H32—C15a—C16a—H35	−66.789 (7)	H89—C8c—C9c—C10c	−62.331 (5)
H33—C15a—C16a—C17a	−65.637 (3)	H89—C8c—C9c—H90	58.032 (15)
H33—C15a—C16a—H34	54.192 (8)	H89—C8c—C9c—H91	177.317 (3)
H33—C15a—C16a—H35	174.523 (2)	C8c—C9c—C10c—C11c	178.348 (2)
C15a—C16a—C17a—C18a	172.9758 (15)	C8c—C9c—C10c—H92	−61.453 (13)
C15a—C16a—C17a—H36	−66.467 (6)	C8c—C9c—C10c—H93	58.163 (5)
C15a—C16a—C17a—H37	52.430 (5)	H90—C9c—C10c—C11c	58.018 (16)
H34—C16a—C17a—C18a	53.145 (5)	H90—C9c—C10c—H92	178.216 (7)
H34—C16a—C17a—H36	173.703 (2)	H90—C9c—C10c—H93	−62.167 (15)
H34—C16a—C17a—H37	−67.400 (6)	H91—C9c—C10c—C11c	−61.315 (8)
H35—C16a—C17a—C18a	−67.192 (5)	H91—C9c—C10c—H92	58.884 (14)
H35—C16a—C17a—H36	53.365 (6)	H91—C9c—C10c—H93	178.500 (5)
H35—C16a—C17a—H37	172.262 (2)	C9c—C10c—C11c—C12c	179.623 (4)
C16a—C17a—C18a—H38	−59.996 (7)	C9c—C10c—C11c—H94	−60.139 (9)
C16a—C17a—C18a—H39	59.992 (5)	C9c—C10c—C11c—H95	59.370 (6)
C16a—C17a—C18a—H40	179.9987 (15)	H92—C10c—C11c—C12c	59.419 (8)
H36—C17a—C18a—H38	179.4570	H92—C10c—C11c—H94	179.657 (6)
H36—C17a—C18a—H39	−60.556 (5)	H92—C10c—C11c—H95	−60.834 (5)
H36—C17a—C18a—H40	59.451 (8)	H93—C10c—C11c—C12c	−60.163 (6)
H37—C17a—C18a—H38	60.555 (6)	H93—C10c—C11c—H94	60.075 (6)
H37—C17a—C18a—H39	−179.458 (2)	H93—C10c—C11c—H95	179.584 (4)
H37—C17a—C18a—H40	−59.451 (6)	C10c—C11c—C12c—C13c	179.821 (3)
C2—O1b—C1b—O2b	1.311 (5)	C10c—C11c—C12c—H96	−59.680 (9)
C2—O1b—C1b—C2b	179.636 (5)	C10c—C11c—C12c—H97	59.308 (11)
O1b—C1b—C2b—C3b	−156.759 (3)	H94—C11c—C12c—C13c	59.582 (16)
O1b—C1b—C2b—H41	−36.221 (13)	H94—C11c—C12c—H96	−179.919 (12)
O1b—C1b—C2b—H42	82.712 (8)	H94—C11c—C12c—H97	−60.930 (16)
O2b—C1b—C2b—C3b	21.612 (3)	H95—C11c—C12c—C13c	−59.941 (4)
O2b—C1b—C2b—H41	142.150 (15)	H95—C11c—C12c—H96	60.558 (7)
O2b—C1b—C2b—H42	−98.917 (9)	H95—C11c—C12c—H97	179.547 (6)
C1b—C2b—C3b—C4b	−170.282 (3)	C11c—C12c—C13c—C14c	−177.027 (2)
C1b—C2b—C3b—H43	−50.206 (10)	C11c—C12c—C13c—H98	−56.262 (11)
C1b—C2b—C3b—H44	69.646 (11)	C11c—C12c—C13c—H99	62.213 (9)
H41—C2b—C3b—C4b	69.168 (9)	H96—C12c—C13c—C14c	62.482 (11)
H41—C2b—C3b—H43	−170.756 (5)	H96—C12c—C13c—H98	−176.753 (6)
H41—C2b—C3b—H44	−50.904 (15)	H96—C12c—C13c—H99	−58.278 (12)
H42—C2b—C3b—C4b	−49.73 (2)	H97—C12c—C13c—C14c	−56.540 (6)
H42—C2b—C3b—H43	70.35 (2)	H97—C12c—C13c—H98	64.225 (12)
H42—C2b—C3b—H44	−169.801 (18)	H97—C12c—C13c—H99	−177.299 (7)
C2b—C3b—C4b—C5b	−177.122 (5)	C12c—C13c—C14c—C15c	−177.6339 (15)
C2b—C3b—C4b—H45	−56.570 (10)	C12c—C13c—C14c—H100	−56.857 (7)
C2b—C3b—C4b—H46	62.31 (3)	C12c—C13c—C14c—H101	61.575 (4)
H43—C3b—C4b—C5b	62.787 (15)	H98—C13c—C14c—C15c	61.613 (11)
H43—C3b—C4b—H45	−176.660 (19)	H98—C13c—C14c—H100	−177.610 (8)
H43—C3b—C4b—H46	−57.78 (2)	H98—C13c—C14c—H101	−59.178 (13)
H44—C3b—C4b—C5b	−57.03 (2)	H99—C13c—C14c—C15c	−56.872 (7)
H44—C3b—C4b—H45	63.52 (3)	H99—C13c—C14c—H100	63.905 (11)
H44—C3b—C4b—H46	−177.60 (3)	H99—C13c—C14c—H101	−177.663 (4)
C3b—C4b—C5b—C6b	−178.611 (7)	C13c—C14c—C15c—C16c	177.616 (3)
C3b—C4b—C5b—H47	−57.842 (14)	C13c—C14c—C15c—H102	−61.832 (9)
C3b—C4b—C5b—H48	60.61 (2)	C13c—C14c—C15c—H103	57.055 (5)
H45—C4b—C5b—C6b	60.839 (9)	H100—C14c—C15c—C16c	56.814 (6)
H45—C4b—C5b—H47	−178.392 (16)	H100—C14c—C15c—H102	177.366 (7)
H45—C4b—C5b—H48	−59.94 (2)	H100—C14c—C15c—H103	−63.747 (6)
H46—C4b—C5b—C6b	−58.059 (6)	H101—C14c—C15c—C16c	−61.584 (6)
H46—C4b—C5b—H47	62.71 (3)	H101—C14c—C15c—H102	58.968 (9)
H46—C4b—C5b—H48	−178.840 (10)	H101—C14c—C15c—H103	177.855 (4)
C4b—C5b—C6b—C7b	−179.818 (4)	C14c—C15c—C16c—C17c	179.730 (2)
C4b—C5b—C6b—H49	−59.32 (3)	C14c—C15c—C16c—H104	−60.306 (6)
C4b—C5b—C6b—H50	59.69 (2)	C14c—C15c—C16c—H105	59.760 (6)
H47—C5b—C6b—C7b	59.42 (3)	H102—C15c—C16c—C17c	59.163 (8)
H47—C5b—C6b—H49	179.924 (7)	H102—C15c—C16c—H104	179.126 (8)
H47—C5b—C6b—H50	−61.07 (5)	H102—C15c—C16c—H105	−60.808 (9)
H48—C5b—C6b—C7b	−59.07 (3)	H103—C15c—C16c—C17c	−59.703 (5)
H48—C5b—C6b—H49	61.43 (6)	H103—C15c—C16c—H104	60.260 (4)
H48—C5b—C6b—H50	−179.56 (3)	H103—C15c—C16c—H105	−179.674 (5)
C5b—C6b—C7b—C8b	178.313 (6)	C15c—C16c—C17c—C18c	−176.2140 (15)
C5b—C6b—C7b—H51	−61.259 (16)	C15c—C16c—C17c—H106	−55.743 (7)
C5b—C6b—C7b—H52	57.892 (13)	C15c—C16c—C17c—H107	63.313 (4)
H49—C6b—C7b—C8b	57.815 (14)	H104—C16c—C17c—C18c	63.796 (6)
H49—C6b—C7b—H51	178.243 (14)	H104—C16c—C17c—H106	−175.733 (5)
H49—C6b—C7b—H52	−62.61 (3)	H104—C16c—C17c—H107	−56.676 (4)
H50—C6b—C7b—C8b	−61.190 (14)	H105—C16c—C17c—C18c	−56.244 (6)
H50—C6b—C7b—H51	59.238 (15)	H105—C16c—C17c—H106	64.226 (6)
H50—C6b—C7b—H52	178.390 (8)	H105—C16c—C17c—H107	−176.717 (2)
C6b—C7b—C8b—C9b	175.813 (5)	C16c—C17c—C18c—H108	−59.985 (6)
C6b—C7b—C8b—H53	−63.90 (2)	C16c—C17c—C18c—H109	59.978 (4)
C6b—C7b—C8b—H54	55.51 (3)	C16c—C17c—C18c—H110	180.000 (3)
H51—C7b—C8b—C9b	55.38 (2)	H106—C17c—C18c—H108	179.552 (3)
H51—C7b—C8b—H53	175.670 (3)	H106—C17c—C18c—H109	−60.485 (8)
H51—C7b—C8b—H54	−64.93 (5)	H106—C17c—C18c—H110	59.536 (7)
H52—C7b—C8b—C9b	−63.74 (3)	H107—C17c—C18c—H108	60.483 (8)
H52—C7b—C8b—H53	56.55 (5)	H107—C17c—C18c—H109	−179.555 (2)
H52—C7b—C8b—H54	175.95 (3)	H107—C17c—C18c—H110	−59.533 (5)
C7b—C8b—C9b—C10b	179.681 (4)