Crystallography Open Database

Information card for entry 7127130

Preview

Coordinates	7127130.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H18 N2 O
Calculated formula	C15 H18 N2 O
SMILES	O=c1n(c2ccccc2nc1C1CCCCC1)C
Title of publication	Electrochemical decarboxylative C3 alkylation of quinoxalin-2(1<i>H</i>)-ones with <i>N</i>-hydroxyphthalimide esters.
Authors of publication	Niu, Kaikai; Song, Lingyun; Hao, Yanke; Liu, Yuxiu; Wang, Qingmin
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2020
Journal volume	56
Journal issue	78
Pages of publication	11673 - 11676
a	10.3988 ± 0.0009 Å
b	11.976 ± 0.0009 Å
c	12.1316 ± 0.0008 Å
α	86.151 ± 0.006°
β	70.363 ± 0.007°
γ	65.045 ± 0.008°
Cell volume	1285.2 ± 0.2 Å³
Cell temperature	113 ± 2 K
Ambient diffraction temperature	113.15 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0521
Residual factor for significantly intense reflections	0.0433
Weighted residual factors for significantly intense reflections	0.1099
Weighted residual factors for all reflections included in the refinement	0.1162
Goodness-of-fit parameter for all reflections included in the refinement	1.027
Diffraction radiation probe	x-ray
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
257230 (current)	2020-10-06	cif/ Updating files of 7127130 Original log message: Adding full bibliography for 7127130.cif.	7127130.cif
255700	2020-08-28	cif/ Adding structures of 7127130 via cif-deposit CGI script.	7127130.cif