Information card for entry 2005302

Structure parameters

• Chemical name: 4,4'-Oxybispyridine
• Formula: C10 H8 N2 O
• Calculated formula: C10 H8 N2 O
• SMILES: O(c1ccncc1)c1ccncc1
• Title of publication: 4,4'-Oxybispyridine and 4,4'-Selenobispyridine
• Authors of publication: Dunne, S. J.; von Nagy-Felsobuki, E. I.; Mackay, M. F.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 8
• Pages of publication: 2040 - 2042
• a: 8.809 ± 0.001 Å
• b: 10.42 ± 0.001 Å
• c: 9.642 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 885.04 ± 0.16 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for all reflections: 0.098
• Weighted residual factors for significantly intense reflections: 0.078
• Goodness-of-fit parameter for all reflections: 0.838
• Goodness-of-fit parameter for significantly intense reflections: 0.838
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No