Crystallography Open Database

Information card for entry 8106613

Preview

Coordinates	8106613.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H16 O2
Calculated formula	C17 H16 O2
Title of publication	Crystal structure of 3-(4-methoxyphenyl)-1-(4-methylphenyl)prop-2-en-1-one, C17H16O2
Authors of publication	Köysal, Yavuz; Bülbül, Hakan; Özdemir, Funda; İlhan, İlhan Özer; Dege, Necmi
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2017
Journal volume	232
Journal issue	4
Pages of publication	593 - 594
a	11.6963 ± 0.0012 Å
b	11.1187 ± 0.0008 Å
c	11.6902 ± 0.001 Å
α	90°
β	115.545 ± 0.007°
γ	90°
Cell volume	1371.7 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 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	0.08
Residual factor for significantly intense reflections	0.035
Weighted residual factors for significantly intense reflections	0.0762
Weighted residual factors for all reflections included in the refinement	0.0865
Goodness-of-fit parameter for all reflections included in the refinement	0.807
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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