Crystallography Open Database

Information card for entry 7156783

Preview

Coordinates	7156783.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H34 O2
Calculated formula	C20 H34 O2
Title of publication	Total synthesis of (±)-epi-stemodan-13α,17-diol.
Authors of publication	Chen, Song; Chen, Ting; Liu, Guanggen; Wang, Xiao; Zhu, Guili; Liu, Yongjiang; Fu, Shaomin; Liu, Bo
Journal of publication	Organic & biomolecular chemistry
Year of publication	2019
Journal volume	17
Journal issue	19
Pages of publication	4711 - 4714
a	9.1145 ± 0.0005 Å
b	18.1803 ± 0.0017 Å
c	18.6882 ± 0.0017 Å
α	115.886 ± 0.009°
β	99.779 ± 0.006°
γ	99.493 ± 0.006°
Cell volume	2643.8 ± 0.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293.15 K
Number of distinct elements	3
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1951
Residual factor for significantly intense reflections	0.1359
Weighted residual factors for significantly intense reflections	0.3946
Weighted residual factors for all reflections included in the refinement	0.4337
Goodness-of-fit parameter for all reflections included in the refinement	1.284
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
225162 (current)	2019-11-08	cif/ Updating files of 7156783 Original log message: Adding full bibliography for 7156783.cif.	7156783.cif
214699	2019-04-19	cif/ Adding structures of 7156783 via cif-deposit CGI script.	7156783.cif