Crystallography Open Database

Information card for entry 8107143

Preview

Coordinates	8107143.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H20 F3 N O3
Calculated formula	C23 H20 F3 N O3
SMILES	FC(F)(F)c1cc(NC(C(=O)c2ccc(OC)cc2)c2ccc(OC)cc2)ccc1
Title of publication	Crystal structure of 1,2-bis(4-methoxyphenyl)-2-((3-(trifluoromethyl)phenyl)amino)ethan-1-one, C23H20F3NO3
Authors of publication	Amr, Abd El-Galil E.; Hosni, Hanaa M.; Ghabbour, Hazem A.
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2016
Journal volume	231
Journal issue	4
Pages of publication	1197 - 1199
a	48.3041 ± 0.0018 Å
b	6.054 ± 0.0002 Å
c	28.5445 ± 0.0011 Å
α	90°
β	105.519 ± 0.002°
γ	90°
Cell volume	8043 ± 0.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0851
Residual factor for significantly intense reflections	0.0557
Weighted residual factors for significantly intense reflections	0.1245
Weighted residual factors for all reflections included in the refinement	0.1404
Goodness-of-fit parameter for all reflections included in the refinement	1.041
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
283616 (current)	2023-05-09	cif/ Adding structures of 8107143 via cif-deposit CGI script.	8107143.cif