Information card for entry 2008216

Structure parameters

• Chemical name: Tris(2-aminobenzyl)amine
• Formula: C21 H24 N4
• Calculated formula: C21 H24 N4
• SMILES: Nc1ccccc1CN(Cc1ccccc1N)Cc1ccccc1N
• Title of publication: Two <i>C</i>~3~-symmetrical tris(<i>ortho</i>-substituted) tribenzylamines
• Authors of publication: Foces-Foces, C.; Llamas-Saiz, A.L.; Alajarín, M.; López-Lázaro, A.; Molina, P.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 3
• Pages of publication: 373 - 377
• a: 8.4793 ± 0.0002 Å
• b: 22.5318 ± 0.001 Å
• c: 9.7774 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1868.01 ± 0.11 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 3
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.03
• Residual factor for significantly intense reflections: 0.029
• Weighted residual factors for all reflections: 0.031
• Weighted residual factors for significantly intense reflections: 0.03
• Goodness-of-fit parameter for all reflections: 0.901
• Goodness-of-fit parameter for all reflections included in the refinement: 0.891
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No