Crystallography Open Database

Information card for entry 7230803

Preview

Coordinates	7230803.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C49 H42 Cl2 N6 O3
Calculated formula	C49 H42 Cl2 N6 O3
Title of publication	Visible-light-induced C(sp3)‒H activation for a C‒C bond forming reaction of 3,4-dihydroquinoxalin-2(1H)-one with nucleophiles using oxygen with a photoredox catalyst or under catalyst-free conditions
Authors of publication	Akula, Pavan Sudheer; Hong, Bor-Cherng; Lee, Gene-Hsiang
Journal of publication	RSC Advances
Year of publication	2018
Journal volume	8
Journal issue	35
Pages of publication	19580
a	10.3326 ± 0.0002 Å
b	20.1095 ± 0.0004 Å
c	22.0811 ± 0.0004 Å
α	90°
β	95.5803 ± 0.0008°
γ	90°
Cell volume	4566.34 ± 0.15 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0539
Residual factor for significantly intense reflections	0.0453
Weighted residual factors for significantly intense reflections	0.1194
Weighted residual factors for all reflections included in the refinement	0.1311
Goodness-of-fit parameter for all reflections included in the refinement	1.034
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
208023 (current)	2018-05-29	cif/ Adding structures of 7230799, 7230800, 7230801, 7230802, 7230803 via cif-deposit CGI script.	7230803.cif