Crystallography Open Database

Information card for entry 7217673

Preview

Coordinates	7217673.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22.5 H37 Cl O5
Calculated formula	C22.125 H36.25 Cl0.5 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	26.328 ± 0.015 Å
b	11.042 ± 0.007 Å
c	19.217 ± 0.019 Å
α	90°
β	129.1 ± 0.004°
γ	90°
Cell volume	4335 ± 6 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 K
Number of distinct elements	4
Space group number	5
Hermann-Mauguin space group symbol	C 1 2 1
Hall space group symbol	C 2y
Residual factor for all reflections	0.1511
Residual factor for significantly intense reflections	0.0782
Weighted residual factors for significantly intense reflections	0.1144
Weighted residual factors for all reflections included in the refinement	0.1362
Goodness-of-fit parameter for all reflections included in the refinement	1.003
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7217673.cif
121886	2014-08-12	cif/ Adding structures of 7217671, 7217672, 7217673, 7217674, 7217675, 7217676, 7217677 via cif-deposit CGI script.	7217673.cif