Information card for entry 1572952

Structure parameters

• Chemical name: <i>N</i>,<i>N</i>',<i>N</i>''-Tricyclopropylbenzene-1,3,5-tricarboxamide
• Formula: C18 H21 N3 O3
• Calculated formula: C18 H21 N3 O3
• Title of publication: Crystal structure of N,N′,N′′-tricyclopropylbenzene-1,3,5-tricarboxamide
• Authors of publication: Stapf, Manuel; Miyyapuram, Venugopal Rao; Seichter, Wilhelm; Mazik, Monika
• Journal of publication: Acta Crystallographica Section E Crystallographic Communications
• Year of publication: 2024
• Journal volume: 80
• Journal issue: 11
• Pages of publication: 1194 - 1197
• a: 4.9435 ± 0.0002 Å
• b: 14.2798 ± 0.0005 Å
• c: 23.1247 ± 0.0009 Å
• α: 90°
• β: 95.512 ± 0.002°
• γ: 90°
• Cell volume: 1624.88 ± 0.11 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0539
• Residual factor for significantly intense reflections: 0.0395
• Weighted residual factors for significantly intense reflections: 0.0925
• Weighted residual factors for all reflections included in the refinement: 0.1011
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No