Information card for entry 2010903

Structure parameters

• Common name: gallic acid monohydrate
• Chemical name: 3,4,5-trihydroxybenzoic acid monohydrate
• Formula: C7 H8 O6
• Calculated formula: C7 H8 O6
• SMILES: OC(=O)c1cc(O)c(c(c1)O)O.O
• Title of publication: Gallic acid monohydrate
• Authors of publication: Jiang, Ren-Wang; Ming, Dong-Sheng; But, Paul P. H.; Mak, Thomas C. W.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 5
• Pages of publication: 594 - 595
• a: 5.794 ± 0.004 Å
• b: 4.719 ± 0.005 Å
• c: 28.688 ± 0.005 Å
• α: 90°
• β: 95.08 ± 0.03°
• γ: 90°
• Cell volume: 781.3 ± 1 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 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: 0.083
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for all reflections: 0.112
• Weighted residual factors for all reflections included in the refinement: 0.127
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes