Crystallography Open Database

Information card for entry 8106829

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Coordinates	8106829.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H12 O4
Calculated formula	C14 H12 O4
Title of publication	Crystal structure of (2,5-dihydroxyphenyl)-(4-methoxyphenyl)methanone, C14H12O4
Authors of publication	Benites, Julio; Valderrama, Jaime A.; Ríos, David; Cárdenas, Alejandro; Brito, Iván
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2016
Journal volume	231
Journal issue	1
Pages of publication	213 - 214
a	22.6015 ± 0.0012 Å
b	7.1344 ± 0.0004 Å
c	7.3789 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	1189.83 ± 0.11 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 K
Number of distinct elements	3
Space group number	29
Hermann-Mauguin space group symbol	P c a 21
Hall space group symbol	P 2c -2ac
Residual factor for all reflections	0.0827
Residual factor for significantly intense reflections	0.0647
Weighted residual factors for significantly intense reflections	0.1667
Weighted residual factors for all reflections included in the refinement	0.1864
Goodness-of-fit parameter for all reflections included in the refinement	1.062
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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