Information card for entry 2202320

Structure parameters

• Formula: C10 H10 O10
• Calculated formula: C10 H10 O10
• SMILES: OC(=O)c1cc(C(=O)O)c(cc1C(=O)O)C(=O)O.O.O
• Title of publication: Benzene-1,2,4,5-tetracarboxylic acid dihydrate at 160K
• Authors of publication: Dale, Sophie H.; Elsegood, Mark R. J.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 8
• Pages of publication: o1087 - o1088
• a: 5.4651 ± 0.0006 Å
• b: 6.4044 ± 0.0007 Å
• c: 9.1145 ± 0.0011 Å
• α: 71.941 ± 0.003°
• β: 88.612 ± 0.003°
• γ: 72.933 ± 0.003°
• Cell volume: 289.16 ± 0.06 ų
• Cell temperature: 160 ± 2 K
• Ambient diffraction temperature: 160 ± 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: 0.0378
• Residual factor for significantly intense reflections: 0.0345
• Weighted residual factors for significantly intense reflections: 0.0946
• Weighted residual factors for all reflections included in the refinement: 0.0957
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes