Crystallography Open Database

Information card for entry 7157495

Preview

Coordinates	7157495.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H32 O4
Calculated formula	C22 H32 O4
Title of publication	Highly modified steroids from Inonotus obliquus.
Authors of publication	Zou, Chun-Xin; Hou, Zi-Lin; Bai, Ming; Guo, Rui; Lin, Bin; Wang, Xiao-Bo; Huang, Xiao-Xiao; Song, Shao-Jiang
Journal of publication	Organic & biomolecular chemistry
Year of publication	2020
Journal volume	18
Journal issue	20
Pages of publication	3908 - 3916
a	12.5521 ± 0.0012 Å
b	6.6052 ± 0.0006 Å
c	12.9824 ± 0.0012 Å
α	90°
β	113.567 ± 0.003°
γ	90°
Cell volume	986.58 ± 0.16 Å³
Cell temperature	210 ± 2 K
Ambient diffraction temperature	210 ± 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	0.0311
Residual factor for significantly intense reflections	0.0303
Weighted residual factors for significantly intense reflections	0.1055
Weighted residual factors for all reflections included in the refinement	0.1073
Goodness-of-fit parameter for all reflections included in the refinement	0.955
Diffraction radiation wavelength	1.34139 Å
Diffraction radiation type	GaKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
252919 (current)	2020-06-05	cif/ Updating files of 7157495 Original log message: Adding full bibliography for 7157495.cif.	7157495.cif
251884	2020-05-07	cif/ Adding structures of 7157495 via cif-deposit CGI script.	7157495.cif