Crystallography Open Database

Information card for entry 7156734

Preview

Coordinates	7156734.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H10 F3 N S
Calculated formula	C14 H10 F3 N S
Title of publication	Transition metal-free α-C<sub>sp<sup>3</sup></sub>-H oxidative sulfuration of benzyl thiosulfates with anilines to form N-aryl thioamides.
Authors of publication	Qiao, Mengjun; Zhang, Jinli; Chen, Ling; Zhou, Fengyi; Zhang, Yali; Zhou, Lingfei; Wu, Yangjie
Journal of publication	Organic & biomolecular chemistry
Year of publication	2019
Journal volume	17
Journal issue	15
Pages of publication	3790 - 3796
a	13.5721 ± 0.0006 Å
b	12.8938 ± 0.0008 Å
c	7.9189 ± 0.0004 Å
α	90°
β	106.101 ± 0.005°
γ	90°
Cell volume	1331.42 ± 0.13 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	0.0764
Residual factor for significantly intense reflections	0.061
Weighted residual factors for significantly intense reflections	0.1697
Weighted residual factors for all reflections included in the refinement	0.1865
Goodness-of-fit parameter for all reflections included in the refinement	1.047
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
225238 (current)	2019-11-08	cif/ Updating files of 7156734 Original log message: Adding full bibliography for 7156734.cif.	7156734.cif
214207	2019-03-20	cif/ Adding structures of 7156734 via cif-deposit CGI script.	7156734.cif