Information card for entry 2200416

Structure parameters

• Formula: C7 H8 O6
• Calculated formula: C7 H8 O6
• SMILES: OC(=O)c1cc(O)c(O)c(O)c1.O
• Title of publication: Gallic acid monohydrate
• Authors of publication: Okabe, Nobuo; Kyoyama, Hasuyo; Suzuki, Misato
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 8
• Pages of publication: o764 - o766
• a: 14.15 ± 0.01 Å
• b: 3.622 ± 0.009 Å
• c: 15.028 ± 0.01 Å
• α: 90°
• β: 97.52 ± 0.07°
• γ: 90°
• Cell volume: 764 ± 2 ų
• Cell temperature: 296.2 K
• Number of distinct elements: 3
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for significantly intense reflections: 0.0492
• Weighted residual factors for all reflections included in the refinement: 0.1875
• Goodness-of-fit parameter for all reflections included in the refinement: 0.907
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes