Information card for entry 2008672

Structure parameters

• Common name: 2,2'-dihydroxy-5,5'-dimethoxybiphenyl-3,3'-dicarboxaldehyde
• Formula: C16 H14 O6
• Calculated formula: C16 H14 O6
• SMILES: COc1cc(C=O)c(c(c1)c1cc(OC)cc(c1O)C=O)O
• Title of publication: Hydrogen bonding and C—H···O interactions in 2,2'-dihydroxy-5,5'-dimethoxybiphenyl-3,3'-dicarbaldehyde
• Authors of publication: Gerkin, Roger E.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 7
• Pages of publication: 1176 - 1179
• a: 7.691 ± 0.001 Å
• b: 9.1327 ± 0.0008 Å
• c: 10.982 ± 0.001 Å
• α: 75.815 ± 0.008°
• β: 71.109 ± 0.008°
• γ: 89.304 ± 0.01°
• Cell volume: 705.67 ± 0.14 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 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 significantly intense reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.08
• Goodness-of-fit parameter for significantly intense reflections: 1.98
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No