Information card for entry 2222546

Structure parameters

• Chemical name: Butane-1,2,3,4-tetracarboxylic acid–4,4'-bipyridine (1/2)
• Formula: C28 H26 N4 O8
• Calculated formula: C28 H26 N4 O8
• SMILES: n1ccc(cc1)c1ccncc1.n1ccc(cc1)c1ccncc1.OC(=O)[C@H]([C@H](C(=O)O)CC(=O)O)CC(=O)O
• Title of publication: Butane-1,2,3,4-tetracarboxylic acid–4,4'-bipyridine (1/2)
• Authors of publication: Zhang, Ning; Shi, Xue-Min; Shao, Min; Li, Ming-Xing
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 8
• Pages of publication: o2016
• a: 7.4435 ± 0.0011 Å
• b: 8.699 ± 0.0013 Å
• c: 11.438 ± 0.002 Å
• α: 99.819 ± 0.003°
• β: 105.662 ± 0.003°
• γ: 111.361 ± 0.002°
• Cell volume: 633.58 ± 0.17 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.076
• Residual factor for significantly intense reflections: 0.0606
• Weighted residual factors for significantly intense reflections: 0.1622
• Weighted residual factors for all reflections included in the refinement: 0.1762
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes