Information card for entry 2227194

Structure parameters

• Chemical name: Biphenyl-4,4'-dicarboxylic acid <i>N</i>,<i>N</i>-dimethylformamide monosolvate
• Formula: C20 H24 N2 O6
• Calculated formula: C20 H24 N2 O6
• SMILES: OC(=O)c1ccc(cc1)c1ccc(cc1)C(=O)O.O=CN(C)C.O=CN(C)C
• Title of publication: Biphenyl-4,4'-dicarboxylic acid <i>N</i>,<i>N</i>-dimethylformamide monosolvate
• Authors of publication: Jakobsen, Søren; Wragg, David Stephen; Lillerud, Karl Petter
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 9
• Pages of publication: o2209
• a: 7.666 ± 0.007 Å
• b: 7.774 ± 0.007 Å
• c: 9.099 ± 0.008 Å
• α: 88.549 ± 0.01°
• β: 73.596 ± 0.01°
• γ: 65.208 ± 0.007°
• Cell volume: 469.5 ± 0.7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0642
• Residual factor for significantly intense reflections: 0.0441
• Weighted residual factors for significantly intense reflections: 0.1318
• Weighted residual factors for all reflections included in the refinement: 0.1747
• Goodness-of-fit parameter for all reflections included in the refinement: 1.114
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes