Crystallography Open Database

Information card for entry 1545923

Preview

Coordinates	1545923.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C37 H60 O11
Calculated formula	C37 H56.75 O11
SMILES	O(C)C1=C[C@H](O[C@@H](O[C@@H]2CC3=CC[C@@H]4[C@@H]([C@]3(CC2)C)CC[C@]2([C@H]4CC[C@]2(O)[C@@H](O[C@@H]2O[C@@H]([C@@H](O)[C@H](OCOCC)C2)C)C)C)C1=O)C.O
Title of publication	Absolute Configuration of Periplosides C and F and Isolation of Minor Spiro-orthoester Group-Containing Pregnane-type Steroidal Glycosides from Periploca sepium and Their T-Lymphocyte Proliferation Inhibitory Activities.
Authors of publication	Wang, Luo-Yi; Qin, Jun-Jun; Chen, Zhen-Hua; Zhou, Yu; Tang, Wei; Zuo, Jian-Ping; Zhao, Wei-Min
Journal of publication	Journal of natural products
Year of publication	2017
Journal volume	80
Journal issue	4
Pages of publication	1102 - 1109
a	12.5069 ± 0.0016 Å
b	23.641 ± 0.003 Å
c	25.417 ± 0.003 Å
α	90°
β	98.788 ± 0.002°
γ	90°
Cell volume	7427 ± 1.6 Å³
Cell temperature	296 K
Ambient diffraction temperature	296.15 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	0.1501
Residual factor for significantly intense reflections	0.0761
Weighted residual factors for significantly intense reflections	0.1596
Weighted residual factors for all reflections included in the refinement	0.1886
Goodness-of-fit parameter for all reflections included in the refinement	0.977
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
217633 (current)	2019-08-21	cif/1: Fixing Z values and formulae	1545923.cif
196012	2017-05-04	cif/ Adding structures of 1545923 via cif-deposit CGI script.	1545923.cif