Crystallography Open Database

Information card for entry 1516011

Preview

Coordinates	1516011.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H32 O4
Calculated formula	C20 H30 O4
SMILES	OC(=O)[C@@]1([C@H]2[C@]([C@@H](C[C@@H](O)C(=C)C=C)C(=C)CC2)(C)CCC1)C.O
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	20.0401 ± 0.0008 Å
b	20.0401 ± 0.0008 Å
c	9.4689 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	3802.8 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	3
Space group number	79
Hermann-Mauguin space group symbol	I 4
Hall space group symbol	I 4
Residual factor for all reflections	0.0522
Residual factor for significantly intense reflections	0.0506
Weighted residual factors for significantly intense reflections	0.1354
Weighted residual factors for all reflections included in the refinement	0.1368
Goodness-of-fit parameter for all reflections included in the refinement	1.073
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.	1516011.cif
113215	2014-05-08	cif/ Adding structures of 1516011 via cif-deposit CGI script.	1516011.cif