Crystallography Open Database

Information card for entry 1517267

Preview

Coordinates	1517267.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H38 O6
Calculated formula	C30 H38 O6
SMILES	O[C@H]1C[C@@H](O)C(=C)[C@@H]2C[C@H]3[C@H](OC(=O)[C@]43C[C@@]3(C[C@H]4C4=C3C[C@H]3[C@@H](OC(=O)C3=C)C[C@@H]4C)C)C[C@@]12C
Title of publication	Carpedilactones A-D, Four New Isomeric Sesquiterpene Lactone Dimers with Potent Cytotoxicity from Carpesium faberi.
Authors of publication	Yang, Yong-Xun; Shan, Lei; Liu, Qing-Xin; Shen, Yun-Heng; Zhang, Jian-Ping; Ye, Ji; Xu, Xi-Ke; Li, Hui-Liang; Zhang, Wei-Dong
Journal of publication	Organic letters
Year of publication	2014
Journal volume	16
Journal issue	16
Pages of publication	4216 - 4219
a	8.4688 ± 0.0001 Å
b	9.616 ± 0.0002 Å
c	32.4284 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	2640.84 ± 0.08 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	0.0373
Residual factor for significantly intense reflections	0.0366
Weighted residual factors for significantly intense reflections	0.0934
Weighted residual factors for all reflections included in the refinement	0.0941
Goodness-of-fit parameter for all reflections included in the refinement	1.023
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.	1517267.cif
123114	2014-09-06	cif/ Updating files of 1517265, 1517266, 1517267, 1517268 Original log message: Adding full bibliography for 1517265--1517268.cif.	1517267.cif
121035	2014-08-01	cif/ Adding structures of 1517267 via cif-deposit CGI script.	1517267.cif