Crystallography Open Database

Information card for entry 8106547

Preview

Coordinates	8106547.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H20 F N O
Calculated formula	C27 H20 F N O
SMILES	c12c(cc(cc1C(=O)CC(c1ccc(cc1)F)N2)c1ccccc1)c1ccccc1
Title of publication	Crystal structure of 6,8-diphenyl-2-(4-fluorophenyl)-2,3-dihydroquinolin-4(3H)-one, C27H20FNO
Authors of publication	Maluleka, Marole M.; Oyeyiola, Felix A.; Mphahlele, Malose J.
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2017
Journal volume	232
Journal issue	3
Pages of publication	395 - 396
a	13.162 ± 0.0002 Å
b	13.8779 ± 0.0003 Å
c	11.1618 ± 0.0002 Å
α	90°
β	99.71 ± 0.001°
γ	90°
Cell volume	2009.62 ± 0.06 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 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	0.0615
Residual factor for significantly intense reflections	0.0436
Weighted residual factors for significantly intense reflections	0.1219
Weighted residual factors for all reflections included in the refinement	0.131
Goodness-of-fit parameter for all reflections included in the refinement	1.105
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
280523 (current)	2023-01-23	cif/ Adding structures of 8106547 via cif-deposit CGI script.	8106547.cif