Crystallography Open Database

Information card for entry 1517374

Preview

Coordinates	1517374.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H48 O6
Calculated formula	C30 H48 O6
SMILES	O.O=C(O)CC[C@]12[C@]3([C@H]([C@]4([C@@]([C@@H]([C@H]5C[C@@H]([C@H](O)C(O)(C)C)OC5)CC4)(CC3)C)C)CC[C@H]1C(=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	7.6982 ± 0.0012 Å
b	19.44 ± 0.003 Å
c	21.085 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	3155.4 ± 0.8 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.1459
Residual factor for significantly intense reflections	0.1279
Weighted residual factors for significantly intense reflections	0.3179
Weighted residual factors for all reflections included in the refinement	0.3386
Goodness-of-fit parameter for all reflections included in the refinement	1.407
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.	1517374.cif
123051	2014-09-06	cif/ Updating files of 1517372, 1517373, 1517374 Original log message: Adding full bibliography for 1517372--1517374.cif.	1517374.cif
122117	2014-08-18	cif/ Adding structures of 1517374 via cif-deposit CGI script.	1517374.cif