Crystallography Open Database

Information card for entry 7243398

Preview

Coordinates	7243398.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H20 N2
Calculated formula	C19 H20 N2
SMILES	n1c([nH]c(c1c1ccccc1)c1ccccc1)CCCC
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	16.5878 ± 0.0005 Å
b	9.2549 ± 0.0003 Å
c	20.0075 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	3071.52 ± 0.16 Å³
Cell temperature	100 ± 0.2 K
Ambient diffraction temperature	100 ± 0.2 K
Number of distinct elements	3
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	0.0529
Residual factor for significantly intense reflections	0.0398
Weighted residual factors for significantly intense reflections	0.09
Weighted residual factors for all reflections included in the refinement	0.0972
Goodness-of-fit parameter for all reflections included in the refinement	1.056
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
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.	7243398.cif