Information card for entry 1519800

Structure parameters

• Formula: C8 H8 O4
• Calculated formula: C8 H8 O4
• SMILES: c1(c(ccc(c1)OC)O)C(=O)O
• Title of publication: 2-Hydroxy-5-Methoxybenzoic acid
• Authors of publication: Montis, Riccardo; Hook, Callum S.; Horton, Peter N.; Hursthouse, Michael B.
• Journal of publication: Crystal Structure Report Archive
• Year of publication: 2007
• Pages of publication: 344
• a: 3.9766 ± 0.0003 Å
• b: 16.1062 ± 0.0013 Å
• c: 11.5115 ± 0.0009 Å
• α: 90°
• β: 90.407 ± 0.005°
• γ: 90°
• Cell volume: 737.27 ± 0.1 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.084
• Residual factor for significantly intense reflections: 0.0511
• Weighted residual factors for significantly intense reflections: 0.1165
• Weighted residual factors for all reflections included in the refinement: 0.1333
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No