Crystallography Open Database

Information card for entry 1512146

Preview

Coordinates	1512146.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C13 H22 O4
Calculated formula	C13 H22 O4
SMILES	C1(C[C@@H]([C@H]([C@H]([C@@]1(/C=C/C(=O)C)O)C)O)O)(C)C
Title of publication	Wilsonols A-L, Megastigmane Sesquiterpenoids from the Leaves of Cinnamomum wilsonii.
Authors of publication	Shu, Penghua; Wei, Xialan; Xue, Yongbo; Li, Weijie; Zhang, Jinwen; Xiang, Ming; Zhang, Mengke; Luo, Zengwei; Li, Yan; Yao, Guangmin; Zhang, Yonghui
Journal of publication	Journal of natural products
Year of publication	2013
Journal volume	76
Journal issue	7
Pages of publication	1303 - 1312
a	8.0315 ± 0.0002 Å
b	10.532 ± 0.0002 Å
c	15.8116 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	1337.47 ± 0.05 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 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	0.04
Residual factor for significantly intense reflections	0.0386
Weighted residual factors for significantly intense reflections	0.1
Weighted residual factors for all reflections included in the refinement	0.1022
Goodness-of-fit parameter for all reflections included in the refinement	1.066
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1512146.cif
87860	2013-08-27	cif/ Adding structures of 1512146 via cif-deposit CGI script.	1512146.cif