Crystallography Open Database

Information card for entry 1529458

Preview

Coordinates	1529458.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H32 O5
Calculated formula	C29 H32 O5
SMILES	c1(=O)cc(c2c(C(=C(C(C)C)\O)\C(=O)C(C2=O)(CC=C(C)C)CC=C(C)C)o1)c1ccccc1
Title of publication	Lepidotol A from Mesua lepidota Inhibits Inflammatory and Immune Mediators in Human Endothelial Cells.
Authors of publication	Rouger, Caroline; Derbré, Séverine; Charreau, Béatrice; Pabois, Angélique; Cauchy, Thomas; Litaudon, Marc; Awang, Khalijah; Richomme, Pascal
Journal of publication	Journal of natural products
Year of publication	2015
Journal volume	78
Journal issue	9
Pages of publication	2187 - 2197
a	24.274 ± 0.002 Å
b	16.262 ± 0.001 Å
c	12.626 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	4984 ± 0.9 Å³
Cell temperature	230 ± 2 K
Ambient diffraction temperature	230 ± 2 K
Number of distinct elements	3
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.1791
Residual factor for significantly intense reflections	0.0598
Weighted residual factors for significantly intense reflections	0.1082
Weighted residual factors for all reflections included in the refinement	0.1426
Goodness-of-fit parameter for all reflections included in the refinement	1.023
Diffraction radiation probe	x-ray
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
160546 (current)	2015-10-06	cif/ Updating files of 1529458 Original log message: Adding full bibliography for 1529458.cif.	1529458.cif
153654	2015-08-26	cif/ Adding structures of 1529458 via cif-deposit CGI script.	1529458.cif