Information card for entry 2008723

Structure parameters

• Chemical name: N,N',N''-Trimethyl-N,N',N''-tris(3-methylphenyl)-1,3,5- benzenetricarboxamide
• Formula: C33 H33 N3 O3
• Calculated formula: C33 H33 N3 O3
• SMILES: Cc1cccc(c1)N(C(=O)c1cc(cc(c1)C(=O)N(c1cccc(c1)C)C)C(=O)N(c1cccc(c1)C)C)C
• Title of publication: <i>N</i>,<i>N</i>',<i>N</i>''-Trimethyl-<i>N</i>,<i>N</i>',<i>N</i>''-tris(3-methylphenyl)-1,3,5-benzenetricarboxamide is cubic (space group <i>Pa</i>øverline{3}) and not orthorhombic (space group <i>Pbca</i>). Erratum
• Authors of publication: Herbstein, Frank H.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 7
• Pages of publication: 1196
• a: 17.862 ± 0.001 Å
• b: 17.862 ± 0.001 Å
• c: 17.862 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5698.9 ± 0.6 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 205
• Hermann-Mauguin space group symbol: P a -3
• Hall space group symbol: -P 2ac 2ab 3
• Residual factor for significantly intense reflections: 0.067
• Diffraction radiation wavelength: 1.5405 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No