Crystallography Open Database

Information card for entry 7157982

Preview

Coordinates	7157982.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H16 F N O
Calculated formula	C22 H16 F N O
SMILES	O(c1cc2c(nc(c(c2)c2ccccc2)c2ccc(F)cc2)cc1)C
Title of publication	Copper(ii) triflate catalyzed three-component reaction for the synthesis of 2,3-diarylquinoline derivatives using aryl amines, aryl aldehydes and styrene oxides.
Authors of publication	Ali, Saghir; Khan, Abu T.
Journal of publication	Organic & biomolecular chemistry
Year of publication	2021
Journal volume	19
Journal issue	14
Pages of publication	3255 - 3262
a	13.9206 ± 0.0006 Å
b	9.0995 ± 0.0004 Å
c	14.8399 ± 0.0006 Å
α	90°
β	116.476 ± 0.001°
γ	90°
Cell volume	1682.63 ± 0.12 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
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	0.0948
Residual factor for significantly intense reflections	0.0593
Weighted residual factors for significantly intense reflections	0.1456
Weighted residual factors for all reflections included in the refinement	0.1805
Goodness-of-fit parameter for all reflections included in the refinement	0.883
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
298703 (current)	2025-04-03	cif/7: Fixing Z values and formulae	7157982.cif
264953	2021-05-05	cif/ Updating files of 7157982 Original log message: Adding full bibliography for 7157982.cif.	7157982.cif
263200	2021-03-20	cif/ Adding structures of 7157982 via cif-deposit CGI script.	7157982.cif