Information card for entry 2006369

Structure parameters

• Common name: 5,8-dimethoxy-1-naphthoic acid
• Formula: C13 H12 O4
• Calculated formula: C13 H12 O4
• SMILES: O=C(O)c1cccc2c(OC)ccc(OC)c12
• Title of publication: 5,8-Dimethoxy-1-naphthoic Acid and Methyl 5,8-Dimethoxy-1-naphthoate
• Authors of publication: Blackburn, Anthony C.; Gerkin, Roger E.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 8
• Pages of publication: 1077 - 1080
• a: 7.227 ± 0.001 Å
• b: 34.729 ± 0.002 Å
• c: 9.221 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2314.3 ± 0.6 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 3
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for significantly intense reflections: 0.036
• Goodness-of-fit parameter for significantly intense reflections: 2.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No