Crystallography Open Database

Information card for entry 2243370

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Structure parameters

Chemical name	6-Benzoyl-3,5-diphenylcyclohex-2-en-1-one
Formula	C25 H20 O2
Calculated formula	C25 H20 O2
SMILES	O=C1[C@@H]([C@H](CC(=C1)c1ccccc1)c1ccccc1)C(=O)c1ccccc1.O=C1[C@H]([C@@H](CC(=C1)c1ccccc1)c1ccccc1)C(=O)c1ccccc1
Title of publication	Crystal structure and Hirshfeld surface analysis of 6-benzoyl-3,5-diphenylcyclohex-2-en-1-one
Authors of publication	Naghiyev, Farid N.; Akkurt, Mehmet; Askerov, Rizvan K.; Mamedov, Ibrahim G.; Rzayev, Rovnag M.; Chyrka, Taras; Maharramov, Abel M.
Journal of publication	Acta Crystallographica Section E
Year of publication	2020
Journal volume	76
Journal issue	5
Pages of publication	720 - 723
a	10.2365 ± 0.0004 Å
b	9.7989 ± 0.0004 Å
c	19.3759 ± 0.0008 Å
α	90°
β	103.333 ± 0.002°
γ	90°
Cell volume	1891.14 ± 0.13 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	3
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1095
Residual factor for significantly intense reflections	0.0591
Weighted residual factors for significantly intense reflections	0.13
Weighted residual factors for all reflections included in the refinement	0.1488
Goodness-of-fit parameter for all reflections included in the refinement	1.005
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Revision	Date	Message	Files
251011 (current)	2020-04-22	cif/ hkl/ Adding structures of 2243370 via cif-deposit CGI script.	2243370.cif 2243370.hkl