Crystallography Open Database

Information card for entry 2021066

2021065 << 2021066 >> 2021067

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Structure parameters

Chemical name	4,4'-Dimethylbenzophenone
Formula	C15 H14 O
Calculated formula	C15 H14 O
SMILES	C(=O)(c1ccc(cc1)C)c1ccc(cc1)C
Title of publication	Prevalent polymorphism in benzophenones
Authors of publication	Soqaka, Antonia A.; Esterhuysen, Catharine; Lemmerer, Andreas
Journal of publication	Acta Crystallographica Section C
Year of publication	2018
Journal volume	74
Journal issue	4
a	12.1952 ± 0.001 Å
b	7.8601 ± 0.0007 Å
c	12.0734 ± 0.0012 Å
α	90°
β	90°
γ	90°
Cell volume	1157.3 ± 0.18 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	3
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0501
Residual factor for significantly intense reflections	0.0442
Weighted residual factors for significantly intense reflections	0.1246
Weighted residual factors for all reflections included in the refinement	0.1296
Goodness-of-fit parameter for all reflections included in the refinement	1.08
Diffraction radiation wavelength	0.56086 Å
Diffraction radiation type	AgKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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