Information card for entry 4501675

Structure parameters

• Chemical name: 3,4-Dihydroxybenzoicacid monohydrate
• Formula: C7 H8 O5
• Calculated formula: C7 H8 O5
• Title of publication: Polymorphism in Isomeric Dihydroxybenzoic Acids
• Authors of publication: Sarma, Bipul; Sanphui, Palash; Nangia, Ashwini
• Journal of publication: Crystal Growth & Design
• Year of publication: 2010
• Journal volume: 10
• Journal issue: 5
• Pages of publication: 2388
• a: 12.318 ± 0.003 Å
• b: 3.6448 ± 0.0009 Å
• c: 18.182 ± 0.003 Å
• α: 90°
• β: 112.516 ± 0.012°
• γ: 90°
• Cell volume: 754.1 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 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: 0.1364
• Residual factor for significantly intense reflections: 0.0893
• Weighted residual factors for significantly intense reflections: 0.183
• Weighted residual factors for all reflections included in the refinement: 0.2062
• Goodness-of-fit parameter for all reflections included in the refinement: 1.157
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No