Information card for entry 2231176

Structure parameters

• Chemical name: 2,2'-Bipyridine‒cyclopentane-1,2,3,4-tetracarboxylic acid (1/1)
• Formula: C19 H18 N2 O8
• Calculated formula: C19 H18 N2 O8
• SMILES: c1ccc(nc1)c1ccccn1.OC(=O)[C@@H]1C[C@@H]([C@@H]([C@@H]1C(=O)O)C(=O)O)C(=O)O
• Title of publication: 2,2'-Bipyridine‒cyclopentane-1,2,3,4-tetracarboxylic acid (1/1)
• Authors of publication: Lin, Jian-Li; Guo, Xia-Xia; Huang, Wen-Xiang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 8
• Pages of publication: o1945
• a: 12.942 ± 0.003 Å
• b: 25.118 ± 0.005 Å
• c: 5.4353 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1766.9 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.061
• Residual factor for significantly intense reflections: 0.0379
• Weighted residual factors for significantly intense reflections: 0.0794
• Weighted residual factors for all reflections included in the refinement: 0.0888
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes