Crystallography Open Database

Information card for entry 1519614

1519613 << 1519614 >> 1519615

Preview

Coordinates	1519614.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H28 O2
Calculated formula	C20 H28 O2
SMILES	O=C1CC[C@]2([C@H](C1(C)C)CC(=O)C1=C[C@](CC[C@H]21)(C=C)C)C
Title of publication	Anti-inflammatory Terpenoids from the Leaves and Twigs of Dysoxylum gotadhora.
Authors of publication	Jiang, Kan; Chen, Lu-Lin; Wang, Shu-Fang; Wang, Yi; Li, Ya; Gao, Kun
Journal of publication	Journal of natural products
Year of publication	2015
Journal volume	78
Journal issue	5
Pages of publication	1037 - 1044
a	12.4345 ± 0.0004 Å
b	6.06696 ± 0.00015 Å
c	12.7077 ± 0.0004 Å
α	90°
β	115.588 ± 0.004°
γ	90°
Cell volume	864.64 ± 0.05 Å³
Cell temperature	249 ± 30 K
Ambient diffraction temperature	249 ± 30 K
Number of distinct elements	3
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0451
Residual factor for significantly intense reflections	0.0445
Weighted residual factors for significantly intense reflections	0.1227
Weighted residual factors for all reflections included in the refinement	0.124
Goodness-of-fit parameter for all reflections included in the refinement	1.037
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
138268 (current)	2015-06-05	cif/ Updating files of 1519613, 1519614, 1519615 Original log message: Adding full bibliography for 1519613--1519615.cif.	1519614.cif
136303	2015-05-13	cif/ Adding structures of 1519614 via cif-deposit CGI script.	1519614.cif