Information card for entry 2242110

Structure parameters

• Chemical name: 4-Methoxybenzoic acid‒1,3-bis(pyridin-4-yl)propane (2/1)
• Formula: C29 H30 N2 O6
• Calculated formula: C29 H30 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: 7.759 ± 0.003 Å
• b: 8.733 ± 0.004 Å
• c: 19.904 ± 0.007 Å
• α: 91.087 ± 0.016°
• β: 90.593 ± 0.017°
• γ: 113.241 ± 0.015°
• Cell volume: 1238.8 ± 0.9 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0513
• Residual factor for significantly intense reflections: 0.0404
• Weighted residual factors for significantly intense reflections: 0.1026
• Weighted residual factors for all reflections included in the refinement: 0.1055
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes