Crystallography Open Database

Information card for entry 7239714

Preview

Coordinates	7239714.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C11 H10 O2 S
Calculated formula	C11 H10 O2 S
Title of publication	General sulfone construction via sulfur dioxide surrogate control
Authors of publication	Chen, Shihao; Li, Yaping; Wang, Ming; Jiang, Xuefeng
Journal of publication	Green Chemistry
Year of publication	2020
Journal volume	22
Journal issue	2
Pages of publication	322 - 326
a	11.2374 ± 0.0001 Å
b	10.3578 ± 0.0001 Å
c	16.9587 ± 0.0001 Å
α	90°
β	90°
γ	90°
Cell volume	1973.9 ± 0.03 Å³
Cell temperature	292.7 ± 0.6 K
Ambient diffraction temperature	292.7 ± 0.6 K
Number of distinct elements	4
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0351
Residual factor for significantly intense reflections	0.034
Weighted residual factors for significantly intense reflections	0.0916
Weighted residual factors for all reflections included in the refinement	0.0927
Goodness-of-fit parameter for all reflections included in the refinement	1.031
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
257593 (current)	2020-10-06	cif/ Updating files of 7239713, 7239714 Original log message: Adding full bibliography for 7239713--7239714.cif.	7239714.cif
247761	2020-02-04	cif/ Updating files of 7239713, 7239714 Original log message: Adding full bibliography for 7239713--7239714.cif.	7239714.cif
246386	2020-01-01	cif/ Adding structures of 7239713, 7239714 via cif-deposit CGI script.	7239714.cif