Information card for entry 2213842

Structure parameters

• Chemical name: methyl 2,6-dimethoxybenzoate
• Formula: C10 H12 O4
• Calculated formula: C10 H12 O4
• SMILES: O(C(=O)c1c(OC)cccc1OC)C
• Title of publication: Methyl 2,6-dimethoxybenzoate
• Authors of publication: Ghulam Qadeer; Nasim Hasan Rama; Muhammad Azaad Malik; Madeleine Helliwell
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 6
• Pages of publication: o3027 - o3027
• a: 7.2306 ± 0.0009 Å
• b: 14.1058 ± 0.0017 Å
• c: 19.403 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1979 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0655
• Residual factor for significantly intense reflections: 0.0368
• Weighted residual factors for significantly intense reflections: 0.0695
• Weighted residual factors for all reflections included in the refinement: 0.0756
• Goodness-of-fit parameter for all reflections included in the refinement: 0.847
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes