Information card for entry 2220169

Structure parameters

• Chemical name: 1,3-Di-4-pyridylpropane‒4,4'-oxydibenzoic acid (1/1)
• Formula: C27 H24 N2 O5
• Calculated formula: C27 H24 N2 O5
• SMILES: n1ccc(CCCc2ccncc2)cc1.O(c1ccc(cc1)C(=O)O)c1ccc(cc1)C(=O)O
• Title of publication: 1,3-Di-4-pyridylpropane‒4,4'-oxydibenzoic acid (1/1)
• Authors of publication: Dong, Wen-Wen; Li, Dong-Sheng; Zhao, Jun; Tang, Long; Hou, Xiang-Yang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 12
• Pages of publication: o2252
• a: 6.8927 ± 0.0012 Å
• b: 11.5788 ± 0.0019 Å
• c: 14.974 ± 0.003 Å
• α: 86.638 ± 0.003°
• β: 81.205 ± 0.003°
• γ: 73.963 ± 0.003°
• Cell volume: 1134.9 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1913
• Residual factor for significantly intense reflections: 0.0735
• Weighted residual factors for significantly intense reflections: 0.1652
• Weighted residual factors for all reflections included in the refinement: 0.2322
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes