Crystallography Open Database

Information card for entry 7243896

Preview

Coordinates	7243896.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H22 N4 O2 S
Calculated formula	C23 H22 N4 O2 S
Title of publication	Divergent Ritter-type amination via photoredox catalytic four-component radical-polar crossover reactions
Authors of publication	Guo, Sheng-Qiang; Yang, Hui-Qing; Wang, Ai-Lian; Jiang, Yu-Zhen; Xu, Guo-Qiang; Luo, Yong-Chun; Chen, Zhao-Xu; Xu, Peng-Fei
Journal of publication	Green Chemistry
Year of publication	2021
Journal volume	23
Journal issue	23
Pages of publication	9571 - 9576
a	8.65981 ± 0.00014 Å
b	17.7339 ± 0.0002 Å
c	27.7046 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	4254.66 ± 0.1 Å³
Cell temperature	293.41 ± 0.1 K
Ambient diffraction temperature	293.41 ± 0.1 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	0.0509
Residual factor for significantly intense reflections	0.0411
Weighted residual factors for significantly intense reflections	0.1066
Weighted residual factors for all reflections included in the refinement	0.1142
Goodness-of-fit parameter for all reflections included in the refinement	1.037
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
271851 (current)	2022-01-06	cif/ Updating files of 7243893, 7243894, 7243895, 7243896 Original log message: Adding full bibliography for 7243893--7243896.cif.	7243896.cif
270591	2021-11-11	cif/ Adding structures of 7243893, 7243894, 7243895, 7243896 via cif-deposit CGI script.	7243896.cif