Information card for entry 2220167

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(cc1)CCCc1ccncc1.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: Li, Guangzhe; Salim, Chris; Hinode, Hirofumi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 12
• Pages of publication: o2251
• a: 6.8938 ± 0.0003 Å
• b: 11.5869 ± 0.0006 Å
• c: 14.957 ± 0.0009 Å
• α: 86.493 ± 0.004°
• β: 81.157 ± 0.004°
• γ: 74.016 ± 0.003°
• Cell volume: 1134.67 ± 0.1 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.1115
• Residual factor for significantly intense reflections: 0.0516
• Weighted residual factors for significantly intense reflections: 0.1189
• Weighted residual factors for all reflections included in the refinement: 0.1472
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes