Information card for entry 2242111

Structure parameters

• Chemical name: Biphenyl-4,4'-dicarboxylic acid‒4-methoxypyridine (1/2)
• Formula: C26 H24 N2 O6
• Calculated formula: C26 H24 N2 O6
• Title of publication: Crystal structures of 4-methoxybenzoic acid‒1,3-bis(pyridin-4-yl)propane (2/1) and biphenyl-4,4'-dicarboxylic acid‒4-methoxypyridine (1/2)
• Authors of publication: Gotoh, Kazuma; Ishida, Hiroyuki
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2017
• Journal volume: 73
• Journal issue: 8
• Pages of publication: 1192 - 1196
• a: 18.354 ± 0.006 Å
• b: 7.4166 ± 0.0016 Å
• c: 16.674 ± 0.005 Å
• α: 90°
• β: 104.943 ± 0.012°
• γ: 90°
• Cell volume: 2193 ± 1.1 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0453
• Residual factor for significantly intense reflections: 0.0377
• Weighted residual factors for significantly intense reflections: 0.1033
• Weighted residual factors for all reflections included in the refinement: 0.1075
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes