Crystallography Open Database

Information card for entry 7230802

Preview

Coordinates	7230802.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H12 N2 O2
Calculated formula	C15 H12 N2 O2
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	6.6642 ± 0.0002 Å
b	7.5948 ± 0.0002 Å
c	12.0893 ± 0.0003 Å
α	86.257 ± 0.0007°
β	87.5435 ± 0.0007°
γ	79.1977 ± 0.0007°
Cell volume	599.46 ± 0.03 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 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	0.0366
Residual factor for significantly intense reflections	0.0355
Weighted residual factors for significantly intense reflections	0.0925
Weighted residual factors for all reflections included in the refinement	0.0936
Goodness-of-fit parameter for all reflections included in the refinement	1.055
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.	7230802.cif