Information card for entry 2223860

Structure parameters

• Chemical name: Naphthalene-1,4,5,8-tetracarboxylic acid 1,8-anhydride–4,4'-bipyridine (1/1)
• Formula: C24 H14 N2 O7
• Calculated formula: C24 H14 N2 O7
• SMILES: O1C(=O)c2c3c(c(cc2)C(=O)O)c(C(=O)O)ccc3C1=O.n1ccc(c2ccncc2)cc1
• Title of publication: Naphthalene-1,4,5,8-tetracarboxylic acid 1,8-anhydride–4,4'-bipyridine (1/1)
• Authors of publication: Deng, Ji-Hua; Guo, Meng-Ping; Zhang, Qiao-Chu; Yuan, Lin; Guo, Hui-Rui; Mei, Guang-Quan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 11
• Pages of publication: o2912
• a: 9.6193 ± 0.0008 Å
• b: 9.6964 ± 0.0003 Å
• c: 10.192 ± 0.001 Å
• α: 81.384 ± 0.005°
• β: 85.615 ± 0.006°
• γ: 83.947 ± 0.003°
• Cell volume: 932.89 ± 0.12 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0395
• Residual factor for significantly intense reflections: 0.0329
• Weighted residual factors for significantly intense reflections: 0.0979
• Weighted residual factors for all reflections included in the refinement: 0.1035
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes