Crystallography Open Database

Information card for entry 7243399

Preview

Coordinates	7243399.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H12 N2 S2
Calculated formula	C17 H12 N2 S2
Title of publication	TMSOTf-catalyzed synthesis of trisubstituted imidazoles using hexamethyldisilazane as a nitrogen source under neat and microwave irradiation conditions
Authors of publication	Asressu, Kesatebrhan Haile; Chan, Chieh-Kai; Wang, Cheng-Chung
Journal of publication	RSC Advances
Year of publication	2021
Journal volume	11
Journal issue	45
Pages of publication	28061 - 28071
a	11.1404 ± 0.0004 Å
b	14.6012 ± 0.0006 Å
c	9.2447 ± 0.0003 Å
α	90°
β	104.497 ± 0.001°
γ	90°
Cell volume	1455.89 ± 0.09 Å³
Cell temperature	100 ± 0.2 K
Ambient diffraction temperature	100 ± 0.2 K
Number of distinct elements	4
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	0.0566
Residual factor for significantly intense reflections	0.0427
Weighted residual factors for significantly intense reflections	0.0999
Weighted residual factors for all reflections included in the refinement	0.1065
Goodness-of-fit parameter for all reflections included in the refinement	1.049
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
268148 (current)	2021-08-20	cif/ Adding structures of 7243397, 7243398, 7243399, 7243400, 7243401, 7243402 via cif-deposit CGI script.	7243399.cif