Crystallography Open Database

Information card for entry 7220790

7220789 << 7220790 >> 7220791

Preview

Coordinates	7220790.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H38 O6
Calculated formula	C30 H38 O6
SMILES	O1[C@@H]2CC[C@]3(O[C@@H]3C[C@H]3[C@@H](OC(=O)[C@@]43[C@@]3(C[C@@H](C5=C3C[C@H]3[C@@H](OC(=O)C3=C)C[C@@H]5C)C4)C)C[C@@]12C)C
Title of publication	Cytotoxic 2, 4-Linked Sesquiterpene Lactone Dimers from Carpesium faberi Exhibiting NF-κB Inhibitory Activity
Authors of publication	Yang, Yong-xun; Gao, Shuang; Zhang, Shoude; Zu, Xian-peng; Shen, Yunheng; Shan, Lei; Li, Hui-Liang; Zhang, Weidong
Journal of publication	RSC Adv.
Year of publication	2015
a	7.6885 ± 0.0002 Å
b	19.3149 ± 0.0004 Å
c	40.8677 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	6069 ± 0.2 Å³
Cell temperature	296 K
Ambient diffraction temperature	296 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	0.073
Residual factor for significantly intense reflections	0.0551
Weighted residual factors for significantly intense reflections	0.1665
Weighted residual factors for all reflections included in the refinement	0.1882
Goodness-of-fit parameter for all reflections included in the refinement	0.761
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
139314 (current)	2015-06-18	cif/ Adding structures of 7220790 via cif-deposit CGI script.	7220790.cif