Information card for entry 2204737

Structure parameters

• Chemical name: N,N,N-Tris(3-methylphenyl)amine
• Formula: C21 H21 N
• Calculated formula: C21 H21 N
• SMILES: N(c1cc(ccc1)C)(c1cc(ccc1)C)c1cc(ccc1)C
• Title of publication: <i>N,N,N</i>-Tris(3-methylphenyl)amine
• Authors of publication: Manifar, Touraj; Rohani, Sohrab; Jennings, Michael, C.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 12
• Pages of publication: o2301 - o2303
• a: 18.8439 ± 0.0013 Å
• b: 16.3922 ± 0.0009 Å
• c: 10.8561 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3353.4 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1799
• Residual factor for significantly intense reflections: 0.0655
• Weighted residual factors for significantly intense reflections: 0.162
• Weighted residual factors for all reflections included in the refinement: 0.2203
• Goodness-of-fit parameter for all reflections included in the refinement: 0.996
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes