Crystallography Open Database

Information card for entry 7217676

Preview

Coordinates	7217676.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	crotonlaevin O
Formula	C20 H30 O3
Calculated formula	C20 H30 O3
SMILES	C1CCC([C@@H]2CC=C3[C@@H]([C@@]12C)C[C@@H]([C@@](C=C)(C)O)OC3=O)(C)C
Title of publication	Labdane-Type Diterpenoids from Croton laevigatus
Authors of publication	Huang, Hong-Li; Qi, Feng-Ming; Yuan, Ji-Cheng; Zhao, Cai-Gui; Yang, Jing-Wei; Fang, Fu-Hu; Wu, Quan-xiang; Gao, Kun; Yuan, Cheng-Shan
Journal of publication	RSC Advances
Year of publication	2014
a	15.646 ± 0.017 Å
b	10.703 ± 0.012 Å
c	10.876 ± 0.012 Å
α	90°
β	90°
γ	90°
Cell volume	1821 ± 3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	3
Space group number	18
Hermann-Mauguin space group symbol	P 21 21 2
Hall space group symbol	P 2 2ab
Residual factor for all reflections	0.0576
Residual factor for significantly intense reflections	0.0391
Weighted residual factors for significantly intense reflections	0.0839
Weighted residual factors for all reflections included in the refinement	0.0921
Goodness-of-fit parameter for all reflections included in the refinement	1.077
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180507 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/76.	7217676.cif
121886	2014-08-12	cif/ Adding structures of 7217671, 7217672, 7217673, 7217674, 7217675, 7217676, 7217677 via cif-deposit CGI script.	7217676.cif