Crystallography Open Database

Information card for entry 1517372

Preview

Coordinates	1517372.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H50 O4
Calculated formula	C30 H50 O4
SMILES	O=C(O)CC[C@@]12[C@H](C(=C)C)CC[C@@H]3[C@]1(CC[C@]1([C@]3(CC[C@@H]1[C@H](C)CC[C@H](O)C(O)(C)C)C)C)C2
Title of publication	Lithocarpic Acids A-N, 3,4-seco-Cycloartane Derivatives from the Cupules of Lithocarpus polystachyus.
Authors of publication	Wang, Hongmin; Ning, Ruonan; Shen, Yu; Chen, Zhenhua; Li, Jinlong; Zhang, Rujun; Leng, Ying; Zhao, Weimin
Journal of publication	Journal of natural products
Year of publication	2014
Journal volume	77
Journal issue	8
Pages of publication	1910
a	8.5098 ± 0.0002 Å
b	12.702 ± 0.0003 Å
c	25.9391 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	2803.8 ± 0.1 Å³
Cell temperature	140 ± 2 K
Ambient diffraction temperature	140 ± 2 K
Number of distinct elements	3
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0504
Residual factor for significantly intense reflections	0.0453
Weighted residual factors for significantly intense reflections	0.1196
Weighted residual factors for all reflections included in the refinement	0.1256
Goodness-of-fit parameter for all reflections included in the refinement	1.075
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1517372.cif
123051	2014-09-06	cif/ Updating files of 1517372, 1517373, 1517374 Original log message: Adding full bibliography for 1517372--1517374.cif.	1517372.cif
122115	2014-08-18	cif/ Adding structures of 1517372 via cif-deposit CGI script.	1517372.cif