Information card for entry 2232270

Structure parameters

• Chemical name: <i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-Tetraisobutylpyridine-2,6-dicarboxamide
• Formula: C23 H39 N3 O2
• Calculated formula: C23 H39 N3 O2
• SMILES: c1(cccc(C(=O)N(CC(C)C)CC(C)C)n1)C(=O)N(CC(C)C)CC(C)C
• Title of publication: <i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-Tetraisobutylpyridine-2,6-dicarboxamide
• Authors of publication: Pojarová, Michaela; Dušek, Michal; Makrlík, Emanuel; Babain, Vasily A.; Vaňura, Petr
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 11
• Pages of publication: o2896 - o2897
• a: 10.5247 ± 0.0002 Å
• b: 17.7765 ± 0.0003 Å
• c: 12.8773 ± 0.0002 Å
• α: 90°
• β: 96.877 ± 0.002°
• γ: 90°
• Cell volume: 2391.91 ± 0.07 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 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: 0.0436
• Residual factor for significantly intense reflections: 0.0399
• Weighted residual factors for significantly intense reflections: 0.1074
• Weighted residual factors for all reflections included in the refinement: 0.1115
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes