Crystallography Open Database

Information card for entry 7222458

Preview

Coordinates	7222458.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H47 O8.5
Calculated formula	C28 H47 O8.5
Title of publication	Capsisteroids A‒F, Withanolides from the Leaves of Solanum capsicoides
Authors of publication	Chen, Bo-Wei; Chen, Yih Yang; Lin, You-Cheng; Huang, Chiung-Yao; Chokkalingam, Uvarani; Hwang, Tsong-Long; Chiang, Michael, Y.; Liu, Ho-Yih; Sheu, Jyh-Horng
Journal of publication	RSC Adv.
Year of publication	2015
a	7.5227 ± 0.0004 Å
b	9.624 ± 0.0006 Å
c	37.396 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	2707.4 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0943
Residual factor for significantly intense reflections	0.0936
Weighted residual factors for significantly intense reflections	0.2351
Weighted residual factors for all reflections included in the refinement	0.2355
Goodness-of-fit parameter for all reflections included in the refinement	1.113
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
176429 (current)	2016-02-13	cif/ (antanas@kurmis) Replacing _cod_chemical_formula_sum_orig tag with _cod_original_formula_sum tag in multiple entries since the replaced tag is deprecated according to the COD CIF dictionary.	7222458.cif
160995	2015-10-08	cif/ Adding structures of 7222458 via cif-deposit CGI script.	7222458.cif