Crystallography Open Database

Information card for entry 7153831

Preview

Coordinates	7153831.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H32 O
Calculated formula	C20 H32 O
Title of publication	A novel synthetic approach to the bicyclo[5.3.1]undecan-11-one framework of vinigrol.
Authors of publication	Wang, Xian-Lei; Lu, Yun-Yu; Wang, Jie; Wang, Xuan; Yao, He-Quan; Lin, Guo-Qiang; Sun, Bing-Feng
Journal of publication	Organic & biomolecular chemistry
Year of publication	2014
Journal volume	12
Journal issue	22
Pages of publication	3562 - 3566
a	9.401 ± 0.004 Å
b	9.421 ± 0.004 Å
c	10.588 ± 0.005 Å
α	108.301 ± 0.01°
β	93.15 ± 0.009°
γ	94.391 ± 0.01°
Cell volume	884.6 ± 0.7 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	3
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1161
Residual factor for significantly intense reflections	0.0859
Weighted residual factors for significantly intense reflections	0.2026
Weighted residual factors for all reflections included in the refinement	0.2205
Goodness-of-fit parameter for all reflections included in the refinement	1.091
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
180324 (current)	2016-03-26	cif/7/15/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/15/38.	7153831.cif
113882	2014-05-16	cif/ Adding structures of 7153831 via cif-deposit CGI script.	7153831.cif