Crystallography Open Database

Information card for entry 7157485

Preview

Coordinates	7157485.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H52 O4
Calculated formula	C29 H48 O3
Title of publication	Spiroconyone A, a new phytosterol with a spiro [5,6] ring system from Conyza japonica.
Authors of publication	Xiao, Long-Gao; Zhang, Yu; Zhang, Hong-Li; Li, Ding; Gu, Qiong; Tang, Gui-Hua; Yu, Qian; An, Lin-Kun
Journal of publication	Organic & biomolecular chemistry
Year of publication	2020
Journal volume	18
Journal issue	27
Pages of publication	5130 - 5136
a	6.61847 ± 0.00005 Å
b	9.54 ± 0.00006 Å
c	44.1844 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	2789.81 ± 0.03 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 0.1 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	0.0288
Residual factor for significantly intense reflections	0.0279
Weighted residual factors for significantly intense reflections	0.0714
Weighted residual factors for all reflections included in the refinement	0.072
Goodness-of-fit parameter for all reflections included in the refinement	1.038
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
255090 (current)	2020-08-06	cif/ Updating files of 7157485 Original log message: Adding full bibliography for 7157485.cif.	7157485.cif
251347	2020-05-01	cif/ Adding structures of 7157485 via cif-deposit CGI script.	7157485.cif