Crystallography Open Database

Information card for entry 7225585

Preview

Coordinates	7225585.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H45 O10
Calculated formula	C29 H45 O10
SMILES	O([C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2C=C[C@@]24[C@]3(O)O[C@@H]3CO[C@](OC4)([C@H]23)C)C1)C)[C@@H]1O[C@@H]([C@@H](O)[C@H](OC)[C@H]1O)C.OC
Title of publication	Hirundigenin type C21 steroidal glycosides from Cynanchum stauntonii and their anti-inflammatory activity
Authors of publication	Lai, Changzhi; Liu, Haibin; Liu, Jianxin; Ouyang, Qin; Pang, Shuwen; Zhou, Hua; Tian, Hai-Yan; Liu, Liang; Yao, Xin-Sheng; Tang, Jinshan
Journal of publication	RSC Adv.
Year of publication	2016
a	8.6095 ± 0.0014 Å
b	7.891 ± 0.0008 Å
c	21.093 ± 0.003 Å
α	90°
β	99.705 ± 0.013°
γ	90°
Cell volume	1412.5 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	3
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0674
Residual factor for significantly intense reflections	0.0552
Weighted residual factors for significantly intense reflections	0.1432
Weighted residual factors for all reflections included in the refinement	0.1545
Goodness-of-fit parameter for all reflections included in the refinement	1.061
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
183705 (current)	2016-06-18	cif/ Adding structures of 7225585 via cif-deposit CGI script.	7225585.cif