Information card for entry 2220853

Structure parameters

• Chemical name: 2,6-dimethoxybenzoic acid
• Formula: C9 H10 O4
• Calculated formula: C9 H10 O4
• SMILES: O=C(O)c1c(OC)cccc1OC
• Title of publication: Redetermination of 2,6-dimethoxybenzoic acid
• Authors of publication: Portalone, Gustavo
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 2
• Pages of publication: o327 - o328
• a: 7.12255 ± 0.00013 Å
• b: 8.92296 ± 0.00015 Å
• c: 13.7943 ± 0.00018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 876.69 ± 0.02 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0425
• Residual factor for significantly intense reflections: 0.0422
• Weighted residual factors for significantly intense reflections: 0.1096
• Weighted residual factors for all reflections included in the refinement: 0.1099
• Goodness-of-fit parameter for all reflections included in the refinement: 1.251
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes