Crystallography Open Database

Information card for entry 2005243

2005242 << 2005243 >> 2005244

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Coordinates	2005243.cif
Original IUCr paper	HTML

Structure parameters

Formula	C35 H50
Calculated formula	C35 H50
SMILES	CC(CCC[C@H]([C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@@H]2[C@]1(C)Cc1cc3ccccc3cc1C2)C)C
Title of publication	Naphtho[2,3-<i>b</i>]cholestane
Authors of publication	Parvez, M.; Nicholson, R.; Simion, D.; Sorensen, T. S.
Journal of publication	Acta Crystallographica Section C
Year of publication	1996
Journal volume	52
Journal issue	8
Pages of publication	2113 - 2115
a	6.553 ± 0.004 Å
b	10.893 ± 0.004 Å
c	20.492 ± 0.002 Å
α	90°
β	94.09 ± 0.02°
γ	90°
Cell volume	1459 ± 1 Å³
Cell temperature	296 K
Ambient diffraction temperature	296 K
Number of distinct elements	2
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for significantly intense reflections	0.0595
Weighted residual factors for significantly intense reflections	0.0611
Goodness-of-fit parameter for significantly intense reflections	3.158
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

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