Information card for entry 2006825

Structure parameters

• Common name: 1,4-dimethoxynaphthalene-2,5-dicarboxylic acid
• Chemical name: 1,4-dimethoxynaphthalene-2,5-dicarboxylic acid
• Formula: C14 H12 O6
• Calculated formula: C14 H12 O6
• SMILES: COc1cc(C(=O)O)c(c2c1c(ccc2)C(=O)O)OC
• Title of publication: 5,8-Dimethoxynaphthalene-1,6-dicarboxylic Acid
• Authors of publication: Gerkin, Roger E.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 12
• Pages of publication: 1987 - 1989
• a: 18.012 ± 0.002 Å
• b: 18.039 ± 0.002 Å
• c: 7.579 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2462.6 ± 0.5 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 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 significantly intense reflections: 0.065
• Weighted residual factors for all reflections included in the refinement: 0.059
• Goodness-of-fit parameter for all reflections included in the refinement: 1.58
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No