Crystallography Open Database

Information card for entry 7230800

Preview

Coordinates	7230800.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H18 Br N3 O
Calculated formula	C23 H18 Br N3 O
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	19.207 ± 0.0005 Å
b	10.1247 ± 0.0003 Å
c	19.7884 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	3848.15 ± 0.18 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	5
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0371
Residual factor for significantly intense reflections	0.0365
Weighted residual factors for significantly intense reflections	0.0939
Weighted residual factors for all reflections included in the refinement	0.0945
Goodness-of-fit parameter for all reflections included in the refinement	1.027
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.	7230800.cif