Information card for entry 2218720

Structure parameters

• Chemical name: Di-4-pyridylmethanediol
• Formula: C11 H10 N2 O2
• Calculated formula: C11 H10 N2 O2
• SMILES: OC(c1ccncc1)(c1ccncc1)O
• Title of publication: Di-4-pyridylmethanediol
• Authors of publication: Knapp, Warren R.; LaDuca, Robert L.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 7
• Pages of publication: o1347
• a: 7.613 ± 0.0002 Å
• b: 7.613 ± 0.0002 Å
• c: 17.5864 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1019.27 ± 0.07 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 96
• Hermann-Mauguin space group symbol: P 43 21 2
• Hall space group symbol: P 4nw 2abw
• Residual factor for all reflections: 0.0327
• Residual factor for significantly intense reflections: 0.0286
• Weighted residual factors for significantly intense reflections: 0.0732
• Weighted residual factors for all reflections included in the refinement: 0.0756
• Goodness-of-fit parameter for all reflections included in the refinement: 1.129
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes