Information card for entry 2232421

Structure parameters

• Common name: Gallic acid pyridine monosolvate
• Chemical name: 3,4,5-trihydroxybenzoic acid pyridine monosolvate
• Formula: C12 H11 N O5
• Calculated formula: C12 H11 N O5
• SMILES: Oc1cc(cc(O)c1O)C(=O)O.n1ccccc1
• Title of publication: Gallic acid pyridine monosolvate
• Authors of publication: Dong, Fu-Yue; Wu, Jie; Tian, Hai-Yan; Ye, Qing-Mei; Jiang, Ren-Wang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 11
• Pages of publication: o3096
• a: 9.335 ± 0.001 Å
• b: 10.435 ± 0.002 Å
• c: 11.8581 ± 0.0015 Å
• α: 90°
• β: 107.632 ± 0.008°
• γ: 90°
• Cell volume: 1100.8 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1396
• Residual factor for significantly intense reflections: 0.0658
• Weighted residual factors for significantly intense reflections: 0.1404
• Weighted residual factors for all reflections included in the refinement: 0.1717
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes