Information card for entry 2229311

Structure parameters

• Common name: gallic acid
• Chemical name: 3,4,5-trihydroxybenzoic acid
• Formula: C7 H6 O5
• Calculated formula: C7 H6 O5
• SMILES: O=C(O)c1cc(O)c(O)c(O)c1
• Title of publication: Gallic acid
• Authors of publication: Zhao, Jianping; Khan, Ikhlas A.; Fronczek, Frank R.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 2
• Pages of publication: o316 - o317
• a: 25.69 ± 0.004 Å
• b: 4.8946 ± 0.0005 Å
• c: 11.097 ± 0.002 Å
• α: 90°
• β: 105.746 ± 0.006°
• γ: 90°
• Cell volume: 1343 ± 0.4 ų
• Cell temperature: 90 ± 0.5 K
• Ambient diffraction temperature: 90 ± 0.5 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: 0.038
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.1
• Weighted residual factors for all reflections included in the refinement: 0.103
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes