Crystallography Open Database

Information card for entry 1548119

Preview

Coordinates	1548119.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39 H54 O7
Calculated formula	C39 H54 O7
SMILES	O1[C@]2(Oc3c(O)c(c4c(c3)[C@@]3([C@H](C[C@](CC3)(C=C)C)CC4)C)C)C(=C(C1=O)C)[C@H]1O[C@@]31CC[C@H]1[C@]([C@@H]3[C@H]2O)(CCCC1(C)C)C.O
Title of publication	Heterodimeric Diterpenoids Isolated from Euphorbia ebracteolata Roots and Their Inhibitory Effects on α-Glucosidase.
Authors of publication	Wei, Yunlong; Wang, Chao; Cheng, Zhongbin; Tian, Xiangge; Jia, Jingming; Cui, Yonglei; Feng, Lei; Sun, Chengpeng; Zhang, Baojing; Ma, Xiaochi
Journal of publication	Journal of natural products
Year of publication	2017
Journal volume	80
Journal issue	12
Pages of publication	3218 - 3223
a	18.06063 ± 0.00019 Å
b	9.22305 ± 0.00012 Å
c	20.6152 ± 0.0002 Å
α	90°
β	91.6998 ± 0.0009°
γ	90°
Cell volume	3432.45 ± 0.07 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 0.1 K
Number of distinct elements	3
Space group number	5
Hermann-Mauguin space group symbol	I 1 2 1
Hall space group symbol	I 2y
Residual factor for all reflections	0.0288
Residual factor for significantly intense reflections	0.0282
Weighted residual factors for significantly intense reflections	0.073
Weighted residual factors for all reflections included in the refinement	0.0735
Goodness-of-fit parameter for all reflections included in the refinement	1.043
Diffraction radiation probe	x-ray
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
204787 (current)	2018-01-06	cif/ Updating files of 1548119 Original log message: Adding full bibliography for 1548119.cif.	1548119.cif
203367	2017-11-21	cif/ Adding structures of 1548119 via cif-deposit CGI script.	1548119.cif