Crystallography Open Database

Information card for entry 2241666

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Structure parameters

Chemical name	(1<i>S</i>,3<i>R</i>,8<i>R</i>,10<i>S</i>)-2,2-Dichloro-10-hydroxy-3,7,7,10-tetramethyltricyclo[6.4.0.0^1,3^]dodecan-9-one
Formula	C16 H24 Cl2 O2
Calculated formula	C16 H24 Cl2 O2
Title of publication	Crystal structure of (1<i>S</i>,3<i>R</i>,8<i>R</i>,10<i>S</i>)-2,2-dichloro-10-hydroxy-3,7,7,10-tetramethyltricyclo[6.4.0.0^1,3^]dodecan-9-one
Authors of publication	Benzalim, Ahmed; Auhmani, Aziz; Ait Itto, My Youssef; Daran, Jean-Claude; Abdelwahed, Auhmani
Journal of publication	Acta Crystallographica Section E
Year of publication	2016
Journal volume	72
Journal issue	5
Pages of publication	709 - 711
a	9.6745 ± 0.0003 Å
b	13.9432 ± 0.0006 Å
c	23.3654 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	3151.8 ± 0.2 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
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	0.0617
Residual factor for significantly intense reflections	0.0524
Weighted residual factors for significantly intense reflections	0.1262
Weighted residual factors for all reflections included in the refinement	0.1342
Goodness-of-fit parameter for all reflections included in the refinement	1.065
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	Yes

Version history

Revision	Date	Message	Files
182303 (current)	2016-04-28	cif/ hkl/ Adding structures of 2241666 via cif-deposit CGI script.	2241666.cif 2241666.hkl