Crystallography Open Database

Information card for entry 8106826

Preview

Coordinates	8106826.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H14 O6
Calculated formula	C15 H14 O6
SMILES	O(C)c1cc(C(=O)c2cc(O)ccc2O)cc(OC)c1O
Title of publication	Crystal structure of (2,5-dihydroxyphenyl)-(4-hydroxy-3,5-dimethoxyphenyl)methanone, C15H14O6
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	205 - 206
a	8.2996 ± 0.0005 Å
b	8.3739 ± 0.0004 Å
c	10.7565 ± 0.0005 Å
α	94.942 ± 0.003°
β	112.199 ± 0.004°
γ	102.752 ± 0.004°
Cell volume	663.09 ± 0.07 Å³
Cell temperature	299 ± 2 K
Ambient diffraction temperature	299.52 K
Number of distinct elements	3
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0449
Residual factor for significantly intense reflections	0.0443
Weighted residual factors for significantly intense reflections	0.1126
Weighted residual factors for all reflections included in the refinement	0.1134
Goodness-of-fit parameter for all reflections included in the refinement	1.127
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
281263 (current)	2023-03-02	cif/ Adding structures of 8106826 via cif-deposit CGI script.	8106826.cif