Crystallography Open Database

Information card for entry 7240261

Preview

Coordinates	7240261.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C11 H11 F0.5 N2
Calculated formula	C11 H11 F0.5 N2
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	9.8331 ± 0.0014 Å
b	20.335 ± 0.003 Å
c	9.8331 ± 0.0014 Å
α	90°
β	90°
γ	90°
Cell volume	1966.2 ± 0.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	45
Hermann-Mauguin space group symbol	I b a 2
Hall space group symbol	I 2 -2c
Residual factor for all reflections	0.0596
Residual factor for significantly intense reflections	0.0544
Weighted residual factors for significantly intense reflections	0.125
Weighted residual factors for all reflections included in the refinement	0.1283
Goodness-of-fit parameter for all reflections included in the refinement	1.197
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.	7240261.cif
250395	2020-04-06	cif/ Adding structures of 7240260, 7240261, 7240262 via cif-deposit CGI script.	7240261.cif