Crystallography Open Database

Information card for entry 7245621

Preview

Coordinates	7245621.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C13 H10 N2 O3 S
Calculated formula	C13 H10 N2 O3 S
Title of publication	Electrochemically driven oxidative C–H/N–H cross-coupling reactions of cyclic sulfamidate imines with primary anilines and secondary amines
Authors of publication	Wang, Hai-Xia; Li, Zhi-Hao; Li, Wan-Wan; Qu, Gui-Rong; Yang, Qi-Liang; Guo, Hai-Ming
Journal of publication	Green Chemistry
Year of publication	2022
Journal volume	24
Journal issue	21
Pages of publication	8377 - 8385
a	6.9208 ± 0.0009 Å
b	7.4115 ± 0.0006 Å
c	11.9359 ± 0.0012 Å
α	101.965 ± 0.007°
β	90.131 ± 0.009°
γ	92.439 ± 0.008°
Cell volume	598.35 ± 0.11 Å³
Cell temperature	169.99 ± 0.1 K
Ambient diffraction temperature	169.99 ± 0.1 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1294
Residual factor for significantly intense reflections	0.1261
Weighted residual factors for significantly intense reflections	0.3218
Weighted residual factors for all reflections included in the refinement	0.3232
Goodness-of-fit parameter for all reflections included in the refinement	1.205
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
278993 (current)	2022-11-07	cif/ Updating files of 7245620, 7245621, 7245622, 7245623, 7245624, 7245625 Original log message: Adding full bibliography for 7245620--7245625.cif.	7245621.cif
278374	2022-10-06	cif/ Adding structures of 7245620, 7245621, 7245622, 7245623, 7245624, 7245625 via cif-deposit CGI script.	7245621.cif