Information card for entry 2220107

Structure parameters

• Chemical name: <i>N</i>,<i>N</i>'-Bis(4-methylphenyl)naphthalene-1,4-dicarboxamide <i>N</i>,<i>N</i>-dimethylacetamide disolvate
• Formula: C34 H40 N4 O4
• Calculated formula: C34 H40 N4 O4
• SMILES: CC(=O)N(C)C.CC(=O)N(C)C.Cc1ccc(cc1)NC(=O)c1ccc(c2c1cccc2)C(=O)Nc1ccc(cc1)C
• Title of publication: <i>N</i>,<i>N</i>'-Bis(4-methylphenyl)naphthalene-1,4-dicarboxamide <i>N</i>,<i>N</i>-dimethylacetamide disolvate
• Authors of publication: Jing, Lin-Hai
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 12
• Pages of publication: o2379
• a: 13.27 ± 0.003 Å
• b: 20.285 ± 0.004 Å
• c: 12.125 ± 0.003 Å
• α: 90°
• β: 101.021 ± 0.004°
• γ: 90°
• Cell volume: 3203.6 ± 1.2 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1584
• Residual factor for significantly intense reflections: 0.0551
• Weighted residual factors for significantly intense reflections: 0.1343
• Weighted residual factors for all reflections included in the refinement: 0.1864
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes