Crystallography Open Database

Information card for entry 1516012

Preview

Coordinates	1516012.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H32 O2
Calculated formula	C20 H32 O2
SMILES	OC[C@]1([C@@H]2CCC3=C[C@@](C=C)(C[C@@H](O)[C@@H]3[C@]2(CCC1)C)C)C
Title of publication	Diterpenoids from the twigs and leaves of Fokienia hodginsii.
Authors of publication	Wu, Xing-De; He, Juan; Li, Xing-Yao; Dong, Liao-Bin; Gong, Xun; Song, Liu-Dong; Li, Yan; Peng, Li-Yan; Zhao, Qin-Shi
Journal of publication	Journal of natural products
Year of publication	2013
Journal volume	76
Journal issue	6
Pages of publication	1032 - 1038
a	8.314 ± 0.0002 Å
b	10.5467 ± 0.0003 Å
c	20.9187 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	1834.26 ± 0.09 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	0.0345
Residual factor for significantly intense reflections	0.0343
Weighted residual factors for significantly intense reflections	0.0979
Weighted residual factors for all reflections included in the refinement	0.0981
Goodness-of-fit parameter for all reflections included in the refinement	1.078
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.	1516012.cif
113216	2014-05-08	cif/ Adding structures of 1516012 via cif-deposit CGI script.	1516012.cif