Crystallography Open Database

Information card for entry 2240718

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Structure parameters

Chemical name	(4-Hydroxy-3,5-dimethylphenyl)(phenyl)methanone
Formula	C15 H14 O2
Calculated formula	C15 H14 O2
SMILES	Oc1c(cc(cc1C)C(=O)c1ccccc1)C
Title of publication	(4-Hydroxy-3,5-dimethylphenyl)(phenyl)methanone
Authors of publication	Dileep, C. S.; Prashanth, T.; Jeyaseelan, S.; Khanum, S. A.; Sridhar, M. A.
Journal of publication	Acta Crystallographica Section E
Year of publication	2013
Journal volume	69
Journal issue	11
Pages of publication	o1676
a	4.7741 ± 0.0013 Å
b	15.198 ± 0.004 Å
c	17.274 ± 0.005 Å
α	90°
β	95.275 ± 0.012°
γ	90°
Cell volume	1248 ± 0.6 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	3
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	0.0537
Residual factor for significantly intense reflections	0.0408
Weighted residual factors for significantly intense reflections	0.1253
Weighted residual factors for all reflections included in the refinement	0.1403
Goodness-of-fit parameter for all reflections included in the refinement	1.02
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
181907 (current)	2016-04-06	hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/07	2240718.cif 2240718.hkl
176428	2016-02-13	Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively.	2240718.cif 2240718.hkl
136877	2015-05-18	cif/ hkl/ Adding structures of 2240718 via cif-deposit CGI script.	2240718.cif 2240718.hkl