Information card for entry 2234356

Structure parameters

• Chemical name: <i>N</i>,<i>N</i>'-Diethyl-<i>N</i>,<i>N</i>'-diphenylpyridine-2,6-dicarboxamide
• Formula: C23 H23 N3 O2
• Calculated formula: C23 H23 N3 O2
• SMILES: c1(cccc(C(=O)N(CC)c2ccccc2)n1)C(=O)N(CC)c1ccccc1
• Title of publication: <i>N</i>,<i>N</i>'-Diethyl-<i>N</i>,<i>N</i>'-diphenylpyridine-2,6-dicarboxamide
• Authors of publication: Klepetářová, Blanka; Makrlík, Emanuel; Babain, Vasily A.; Kašička, Václav
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 4
• Pages of publication: o1099 - o1100
• a: 12.1879 ± 0.0017 Å
• b: 12.2371 ± 0.0015 Å
• c: 13.6798 ± 0.0017 Å
• α: 83.971 ± 0.01°
• β: 86.919 ± 0.011°
• γ: 87.744 ± 0.01°
• Cell volume: 2024.9 ± 0.5 ų
• Cell temperature: 170 K
• Ambient diffraction temperature: 170 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: 0.1223
• Residual factor for significantly intense reflections: 0.0586
• Weighted residual factors for all reflections: 0.1063
• Weighted residual factors for significantly intense reflections: 0.0618
• Weighted residual factors for all reflections included in the refinement: 0.0618
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1414
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes