Information card for entry 2208408

Structure parameters

• Common name: 3,5-dimthoxyhomophthalic acid
• Chemical name: 2-(Carboxymethyl)-4,6-dimethoxybenzoic acid
• Formula: C11 H12 O6
• Calculated formula: C11 H12 O6
• SMILES: c1(c(c(cc(c1)OC)OC)C(=O)O)CC(=O)O
• Title of publication: 2-(Carboxymethyl)-4,6-dimethoxybenzoic acid
• Authors of publication: Ghulam Qadeer; Nasim Hasan Rama; Qing-Shan Li
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 3
• Pages of publication: o906 - o907
• a: 7.2886 ± 0.001 Å
• b: 7.9631 ± 0.0011 Å
• c: 10.2758 ± 0.0014 Å
• α: 105.937 ± 0.002°
• β: 103.444 ± 0.002°
• γ: 93.211 ± 0.002°
• Cell volume: 553.17 ± 0.13 ų
• Cell temperature: 292 ± 2 K
• Ambient diffraction temperature: 292 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0493
• Residual factor for significantly intense reflections: 0.0437
• Weighted residual factors for significantly intense reflections: 0.1208
• Weighted residual factors for all reflections included in the refinement: 0.1255
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes