Information card for entry 2237246

Structure parameters

• Chemical name: 3,5-Bis[(pyridin-4-yl)methoxy]benzoic acid
• Formula: C19 H16 N2 O4
• Calculated formula: C19 H16 N2 O4
• SMILES: n1ccc(cc1)COc1cc(cc(OCc2ccncc2)c1)C(=O)O
• Title of publication: 3,5-Bis[(pyridin-4-yl)methoxy]benzoic acid
• Authors of publication: Lin, Hong; Zhang, Yi-Ping
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 1
• Pages of publication: o77
• a: 11.1523 ± 0.0006 Å
• b: 11.212 ± 0.0006 Å
• c: 13.9255 ± 0.0007 Å
• α: 90°
• β: 102.827 ± 0.003°
• γ: 90°
• Cell volume: 1697.79 ± 0.16 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.06
• Residual factor for significantly intense reflections: 0.0459
• Weighted residual factors for significantly intense reflections: 0.1196
• Weighted residual factors for all reflections included in the refinement: 0.1315
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes