Crystallography Open Database

Information card for entry 7240260

Preview

Coordinates	7240260.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H17 N3
Calculated formula	C19 H17 N3
SMILES	[nH]1c2ccccc2c(c1)C1=NC(N=C1c1ccccc1)(C)C
Title of publication	Novel synthesis of divergent aryl imidazoles from ketones involving copper-catalyzed α-amination and oxidative C‒C bond cleavage
Authors of publication	Huang, Jiangkun; Luo, Lan; Xing, Naiguo; Gu, Linghui; Li, Chen; Han, Qiao; Zheng, Shilong; He, Ling
Journal of publication	RSC Advances
Year of publication	2020
Journal volume	10
Journal issue	23
Pages of publication	13815 - 13819
a	8.8979 ± 0.001 Å
b	16.1189 ± 0.0018 Å
c	10.7902 ± 0.0012 Å
α	90°
β	98.182 ± 0.003°
γ	90°
Cell volume	1531.8 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	3
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	0.0787
Residual factor for significantly intense reflections	0.0511
Weighted residual factors for significantly intense reflections	0.1135
Weighted residual factors for all reflections included in the refinement	0.1279
Goodness-of-fit parameter for all reflections included in the refinement	1.028
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
258114 (current)	2020-10-06	cif/ Updating files of 7240260, 7240261, 7240262 Original log message: Adding full bibliography for 7240260--7240262.cif.	7240260.cif
250395	2020-04-06	cif/ Adding structures of 7240260, 7240261, 7240262 via cif-deposit CGI script.	7240260.cif