Information card for entry 4501673

Structure parameters

• Common name: 3,5-Dihydroxybenzoicacid
• Chemical name: 3,5-Dihydroxybenzoicacid
• Formula: C7 H6 O4
• Calculated formula: C7 H6 O4
• SMILES: Oc1cc(O)cc(c1)C(=O)O
• 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: 14.101 ± 0.002 Å
• b: 22.433 ± 0.004 Å
• c: 14.161 ± 0.002 Å
• α: 90°
• β: 116.77 ± 0.002°
• γ: 90°
• Cell volume: 3999.4 ± 1.1 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1397
• Residual factor for significantly intense reflections: 0.0964
• Weighted residual factors for significantly intense reflections: 0.217
• Weighted residual factors for all reflections included in the refinement: 0.2406
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No