Crystallography Open Database

Information card for entry 7217672

Preview

Coordinates	7217672.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	crotonlaevin G
Formula	C22 H36 O5
Calculated formula	C22 H36 O5
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	20.3298 ± 0.0003 Å
b	9.17075 ± 0.00012 Å
c	24.619 ± 0.0004 Å
α	90°
β	112.723 ± 0.0019°
γ	90°
Cell volume	4233.71 ± 0.12 Å³
Cell temperature	294.4 ± 0.2 K
Ambient diffraction temperature	294.4 ± 0.2 K
Number of distinct elements	3
Space group number	5
Hermann-Mauguin space group symbol	I 1 2 1
Hall space group symbol	I 2y
Residual factor for all reflections	0.0422
Residual factor for significantly intense reflections	0.0411
Weighted residual factors for significantly intense reflections	0.116
Weighted residual factors for all reflections included in the refinement	0.1181
Goodness-of-fit parameter for all reflections included in the refinement	1.051
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
211332 (current)	2018-10-05	cif/ Fixing enumeration values for CIF data items _atom_sites_solution_* using cif_fix_values. Data item relocations and exclusion of CIF comment lines might have occurred due to the usage of cif_filter.	7217672.cif
180507	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.	7217672.cif
121886	2014-08-12	cif/ Adding structures of 7217671, 7217672, 7217673, 7217674, 7217675, 7217676, 7217677 via cif-deposit CGI script.	7217672.cif