Crystallography Open Database

Information card for entry 7051122

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Structure parameters

Common name	Trimesic acid. phloroglucinol
Formula	C24 H18 O15
Calculated formula	C24 H18 O15
SMILES	c1(cc(cc(c1)C(=O)O)C(=O)O)C(=O)O.c1(cc(cc(c1)O)O)O.c1(cc(cc(c1)C(=O)O)C(=O)O)C(=O)O
Title of publication	Solid-state self-assembly of a complex from 1,3,5-benzenetricarboxylic acid and 1,3,5-trihydroxybenzene: influence of strong O‒H···O and C‒H···O hydrogen bonds
Authors of publication	Liu, Rong; Mok, Kum-Fun; Valiyaveettil, Suresh
Journal of publication	New Journal of Chemistry
Year of publication	2001
Journal volume	25
Journal issue	7
Pages of publication	890
a	7.1504 ± 0.0001 Å
b	13.5269 ± 0.0002 Å
c	13.5587 ± 0.0002 Å
α	63.756 ± 0.001°
β	80.888 ± 0.001°
γ	81.243 ± 0.001°
Cell volume	1156.39 ± 0.03 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 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	0.0447
Residual factor for significantly intense reflections	0.0368
Weighted residual factors for significantly intense reflections	0.1069
Weighted residual factors for all reflections included in the refinement	0.1112
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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