Information card for entry 2010107

Structure parameters

• Common name: γ-resorcylic acid
• Chemical name: 2,6-Dihydroxybenzoic Acid
• Formula: C7 H6 O4
• Calculated formula: C7 H6 O4
• SMILES: O=C(O)c1c(O)cccc1O
• Title of publication: γ-Resorcylic acid, its monohydrate and its pyridinium complex
• Authors of publication: Gdaniec, M.; Gilski, M.; Denisov, G.S.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1994
• Journal volume: 50
• Journal issue: 10
• Pages of publication: 1622 - 1626
• a: 14.174 ± 0.003 Å
• b: 12.132 ± 0.002 Å
• c: 3.828 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 658.3 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0351
• Residual factor for significantly intense reflections: 0.0326
• Weighted residual factors for all reflections: 0.0915
• Weighted residual factors for significantly intense reflections: 0.0901
• Goodness-of-fit parameter for all reflections: 1.157
• Goodness-of-fit parameter for significantly intense reflections: 1.189
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No