Crystallography Open Database

Information card for entry 7217674

Preview

Coordinates	7217674.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	crotonlaevin M
Formula	C20 H30 O4
Calculated formula	C20 H30 O4
SMILES	O1C(=O)C2=C([C@@]3([C@@H](C[C@H]2O)C(CCC3)(C)C)C)C[C@H]1/C(=C/CO)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	9.1613 ± 0.0004 Å
b	11.8102 ± 0.0007 Å
c	16.996 ± 0.0009 Å
α	90°
β	95.829 ± 0.005°
γ	90°
Cell volume	1829.4 ± 0.17 Å³
Cell temperature	290 ± 1 K
Ambient diffraction temperature	290 ± 1 K
Number of distinct elements	3
Space group number	5
Hermann-Mauguin space group symbol	C 1 2 1
Hall space group symbol	C 2y
Residual factor for all reflections	0.0343
Residual factor for significantly intense reflections	0.0341
Weighted residual factors for significantly intense reflections	0.0917
Weighted residual factors for all reflections included in the refinement	0.092
Goodness-of-fit parameter for all reflections included in the refinement	1.058
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
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.	7217674.cif
121886	2014-08-12	cif/ Adding structures of 7217671, 7217672, 7217673, 7217674, 7217675, 7217676, 7217677 via cif-deposit CGI script.	7217674.cif