Crystallography Open Database

Information card for entry 7242664

Preview

Coordinates	7242664.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H11 N4 O1.5
Calculated formula	C12 H11 N4 O1.5
Title of publication	Electro-oxidative C‒H azolation of quinoxalin-2(1H)-ones
Authors of publication	Niu, Kaikai; Ding, Ling; Zhou, Pan; Hao, Yanke; Liu, Yuxiu; Song, Hongjian; Wang, Qingmin
Journal of publication	Green Chemistry
Year of publication	2021
Journal volume	23
Journal issue	9
Pages of publication	3246 - 3249
a	18.0472 ± 0.0007 Å
b	7.044 ± 0.0003 Å
c	16.9293 ± 0.0008 Å
α	90°
β	96.096 ± 0.004°
γ	90°
Cell volume	2139.96 ± 0.16 Å³
Cell temperature	113.15 K
Ambient diffraction temperature	113.15 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0568
Residual factor for significantly intense reflections	0.0471
Weighted residual factors for significantly intense reflections	0.1138
Weighted residual factors for all reflections included in the refinement	0.1226
Goodness-of-fit parameter for all reflections included in the refinement	1.052
Diffraction radiation probe	x-ray
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
266114 (current)	2021-06-05	cif/ Updating files of 7242664 Original log message: Adding full bibliography for 7242664.cif.	7242664.cif
264232	2021-04-16	cif/ Adding structures of 7242664 via cif-deposit CGI script.	7242664.cif