Crystallography Open Database

Information card for entry 7231775

Preview

Coordinates	7231775.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H11 N O2 S
Calculated formula	C12 H11 N O2 S
Title of publication	Metal-free construction of primary sulfonamides through three diverse salts
Authors of publication	Wang, Ming; Fan, Qiaoling; Jiang, Xuefeng
Journal of publication	Green Chemistry
Year of publication	2018
Journal volume	20
Journal issue	24
Pages of publication	5469
a	11.1231 ± 0.0002 Å
b	11.9525 ± 0.0002 Å
c	8.5577 ± 0.0001 Å
α	90°
β	99.993 ± 0.002°
γ	90°
Cell volume	1120.48 ± 0.03 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0412
Residual factor for significantly intense reflections	0.0395
Weighted residual factors for significantly intense reflections	0.1061
Weighted residual factors for all reflections included in the refinement	0.1078
Goodness-of-fit parameter for all reflections included in the refinement	1.041
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
230085 (current)	2019-11-17	cif/ Updating files of 7231775 Original log message: Adding full bibliography for 7231775.cif.	7231775.cif
211840	2018-11-08	cif/ Adding structures of 7231775 via cif-deposit CGI script.	7231775.cif