Information card for entry 2227389

Structure parameters

• Chemical name: 4,4'-Bipyridine‒cyclohexane-1,2,4,5-tetracarboxylic acid (1/1)
• Formula: C20 H20 N2 O8
• Calculated formula: C20 H20 N2 O8
• SMILES: OC(=O)[C@H]1[C@H](C[C@@H](C(=O)O)[C@H](C1)C(=O)O)C(=O)O.n1ccc(c2ccncc2)cc1
• Title of publication: 4,4'-Bipyridine‒cyclohexane-1,2,4,5-tetracarboxylic acid (1/1)
• Authors of publication: Liu, Jian-Qiang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 11
• Pages of publication: o2741
• a: 12.345 ± 0.003 Å
• b: 9.724 ± 0.002 Å
• c: 16.497 ± 0.004 Å
• α: 90°
• β: 106.364 ± 0.003°
• γ: 90°
• Cell volume: 1900.1 ± 0.8 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0765
• Residual factor for significantly intense reflections: 0.0473
• Weighted residual factors for significantly intense reflections: 0.1206
• Weighted residual factors for all reflections included in the refinement: 0.1429
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes