Crystallography Open Database

Information card for entry 7127237

Preview

Coordinates	7127237.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H13 F6 N3 O4
Calculated formula	C19 H13 F6 N3 O4
Title of publication	Copper-catalyzed chemoselective C-H functionalization of quinoxalin-2(1<i>H</i>)-ones with hexafluoroisopropanol.
Authors of publication	Su, Hai-Yan; Zhu, Xiao-Lei; Huang, Yangen; Xu, Xiu-Hua; Qing, Feng-Ling
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2020
Journal volume	56
Journal issue	84
Pages of publication	12805 - 12808
a	10.5749 ± 0.0004 Å
b	11.9556 ± 0.0004 Å
c	15.5244 ± 0.0006 Å
α	90°
β	94.202 ± 0.001°
γ	90°
Cell volume	1957.46 ± 0.12 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0549
Residual factor for significantly intense reflections	0.0427
Weighted residual factors for significantly intense reflections	0.1047
Weighted residual factors for all reflections included in the refinement	0.1158
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	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
260695 (current)	2021-01-07	cif/ Updating files of 7127237 Original log message: Adding full bibliography for 7127237.cif.	7127237.cif
256439	2020-09-16	cif/ Adding structures of 7127237 via cif-deposit CGI script.	7127237.cif