Crystallography Open Database

Information card for entry 7239876

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Structure parameters

Formula	C17 H12 Br F3 N2 O2
Calculated formula	C17 H12 Br F3 N2 O2
Title of publication	Visible-light-induced aerobic C3–H fluoroalkoxylation of quinoxalin-2(1H)-ones with fluoroalkyl alcohols
Authors of publication	Xu, Xiaobo; Xia, Chengcai; Li, Xiaojun; Sun, Jian; Hao, Liqiang
Journal of publication	RSC Advances
Year of publication	2020
Journal volume	10
Journal issue	4
Pages of publication	2016 - 2026
a	15.949 ± 0.002 Å
b	9.0933 ± 0.0012 Å
c	25.01 ± 0.003 Å
α	90°
β	113.421 ± 0.002°
γ	90°
Cell volume	3328.3 ± 0.7 Å³
Cell temperature	296.15 K
Ambient diffraction temperature	296.15 K
Number of distinct elements	6
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	0.0918
Residual factor for significantly intense reflections	0.0467
Weighted residual factors for significantly intense reflections	0.1044
Weighted residual factors for all reflections included in the refinement	0.1197
Goodness-of-fit parameter for all reflections included in the refinement	1.013
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
301866 (current)	2025-08-23	Add cross-references to PubChem compounds in COD range 7/23/ Each referenced PubChem compound corresponds to the full crystal structure.	7239876.cif
258039	2020-10-06	cif/ Updating files of 7239876 Original log message: Adding full bibliography for 7239876.cif.	7239876.cif
247560	2020-02-04	cif/ Adding structures of 7239876 via cif-deposit CGI script.	7239876.cif