Crystallography Open Database

Information card for entry 2200115

2200114 << 2200115 >> 2200116

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Structure parameters

Formula	C32 H50 O
Calculated formula	C32 H50 O
SMILES	O([C@@H]1C(=C)CC[C@]23[C@H]1C(CCC[C@]2(C3)C)(C)C)[C@@H]1C(=CC[C@]23[C@H]1C(CCC[C@]2(C3)C)(C)C)C
Title of publication	(1<i>S</i>,3<i>S</i>,8<i>R</i>,9<i>S</i>)-3,7,7,10-Tétraméthyl-9-[(1<i>S</i>,3<i>S</i>,8<i>R</i>,9<i>S</i>)-3,7,7-triméthyl-10-méthylènetricyclo[6,4,0,0^1,3^]dodéc-9-yloxy]tricyclo[6,4,0,0^1,3^]dodéc-10-ène
Authors of publication	Auhmani, A.; Kossareva, E.; Eljamili, H.; Reglier, M.; Pierrot, M.; Benharref, A.
Journal of publication	Acta Crystallographica Section E
Year of publication	2001
Journal volume	57
Journal issue	2
Pages of publication	o102 - o103
a	8.7475 ± 0.0002 Å
b	15.553 ± 0.001 Å
c	20.359 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	2769.8 ± 0.2 Å³
Cell temperature	298 K
Number of distinct elements	3
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.098
Residual factor for significantly intense reflections	0.086
Weighted residual factors for all reflections	0.06
Weighted residual factors for all reflections included in the refinement	0.051
Goodness-of-fit parameter for all reflections	2.12
Goodness-of-fit parameter for all reflections included in the refinement	1.87
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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