Crystallography Open Database

Information card for entry 7250281

Preview

Coordinates	7250281.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H20 N O3 S2
Calculated formula	C22.634 H19.634 N O3 S1.878
Title of publication	Photoinduced tunable fluoroalkylation or sulfonylation/cyclization of methindolylstyrenes via electron donor–acceptor complexes
Authors of publication	Wang, Min; Jian, Yu-Rui; Fu, Xin-Yu; Xiang, Wei; Zha, Xiao; Zheng, Hong-Yu; Cui, Bao-Dong; Zhang, Yun; Mou, Xue-Qing; Chen, Yong-Zheng
Journal of publication	Green Chemistry
Year of publication	2025
Journal volume	27
Journal issue	19
Pages of publication	5433 - 5441
a	11.0229 ± 0.0002 Å
b	16.8862 ± 0.0003 Å
c	21.3037 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	3965.36 ± 0.12 Å³
Cell temperature	150 ± 0.1 K
Ambient diffraction temperature	150 ± 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	0.1211
Residual factor for significantly intense reflections	0.1082
Weighted residual factors for significantly intense reflections	0.302
Weighted residual factors for all reflections included in the refinement	0.3144
Goodness-of-fit parameter for all reflections included in the refinement	2.008
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
301003 (current)	2025-07-06	cif/ Updating files of 7250280, 7250281 Original log message: Adding full bibliography for 7250280--7250281.cif.	7250281.cif
299284	2025-04-12	cif/ Adding structures of 7250280, 7250281 via cif-deposit CGI script.	7250281.cif