Crystallography Open Database

Information card for entry 7244947

Preview

Coordinates	7244947.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H15 F2 N O2 S
Calculated formula	C22 H15 F2 N O2 S
SMILES	S(=O)(=O)(c1cc2c(nc1c1ccccc1)cc(F)c(F)c2)c1ccc(cc1)C
Title of publication	An approach for the synthesis of 2-aryl-3-sulfonyl substituted quinolines through an electrochemical cascade annulation pathway
Authors of publication	Ma, Qiang; Li, Ming; Chen, Zhuo; Ni, Shao-Fei; Wright, James S.; Wen, Li-Rong; Zhang, Lin-Bao
Journal of publication	Green Chemistry
Year of publication	2022
Journal volume	24
Journal issue	11
Pages of publication	4425 - 4431
a	12.72729 ± 0.00008 Å
b	5.5688 ± 0.00005 Å
c	25.1187 ± 0.0002 Å
α	90°
β	92.836 ± 0.0007°
γ	90°
Cell volume	1778.13 ± 0.02 Å³
Cell temperature	169.99 ± 0.11 K
Ambient diffraction temperature	169.99 ± 0.11 K
Number of distinct elements	6
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	0.0342
Residual factor for significantly intense reflections	0.0336
Weighted residual factors for significantly intense reflections	0.0894
Weighted residual factors for all reflections included in the refinement	0.0899
Goodness-of-fit parameter for all reflections included in the refinement	1.033
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
276628 (current)	2022-07-06	cif/ Updating files of 7244947, 7244948 Original log message: Adding full bibliography for 7244947--7244948.cif.	7244947.cif
275497	2022-05-18	cif/ Adding structures of 7244947, 7244948 via cif-deposit CGI script.	7244947.cif