Information card for entry 4507313

Structure parameters

• Common name: gallic acid
• Chemical name: 3,4,5-trihydroxybenzoic acid
• Formula: C7 H6 O5
• Calculated formula: C7 H6 O5
• SMILES: OC(=O)c1cc(O)c(O)c(O)c1
• Title of publication: Complex Polymorphic System of Gallic Acid-Five Monohydrates, Three Anhydrates, and over 20 Solvates.
• Authors of publication: Braun, Doris E.; Bhardwaj, Rajni M.; Florence, Alastair J.; Tocher, Derek A.; Price, Sarah L.
• Journal of publication: Crystal growth & design
• Year of publication: 2013
• Journal volume: 13
• Journal issue: 1
• Pages of publication: 19 - 23
• a: 5.2303 ± 0.0001 Å
• b: 5.26495 ± 0.00012 Å
• c: 24.7927 ± 0.0004 Å
• α: 90°
• β: 102.112 ± 0.0017°
• γ: 90°
• Cell volume: 667.53 ± 0.02 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 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
• Goodness-of-fit parameter for all reflections: 2.065
• Method of determination: powder diffraction
• Diffraction radiation wavelength: 1.54056 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No