Information card for entry 2212091

Structure parameters

• Chemical name: 2,5-Dibenzoylterephthalic acid N,N-dimethylformamide disolvate
• Formula: C28 H28 N2 O8
• Calculated formula: C28 H28 N2 O8
• SMILES: OC(=O)c1cc(c(cc1C(=O)c1ccccc1)C(=O)O)C(=O)c1ccccc1.O=CN(C)C.O=CN(C)C
• Title of publication: 2,5-Dibenzoylterephthalic acid <i>N</i>,<i>N</i>-dimethylformamide disolvate
• Authors of publication: Shan Liu; Wen-Yuan Wu; Fan Wen; Rui Liu; Hong-Jun Zhu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 2
• Pages of publication: o515 - o516
• a: 6.043 ± 0.0012 Å
• b: 8.595 ± 0.0017 Å
• c: 13.211 ± 0.003 Å
• α: 95.57 ± 0.03°
• β: 101.64 ± 0.03°
• γ: 93.47 ± 0.03°
• Cell volume: 666.6 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0643
• Residual factor for significantly intense reflections: 0.0487
• Weighted residual factors for significantly intense reflections: 0.1201
• Weighted residual factors for all reflections included in the refinement: 0.1308
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes