Information card for entry 2228215

Structure parameters

• Common name: Tris{2-[(2-aminobenzylidene)amino]ethyl}amine
• Chemical name: 2-[({2-[bis(2-{[(2- aminophenyl)methylidene]amino}ethyl)amino]ethyl}imino)methyl]aniline
• Formula: C27 H33 N7
• Calculated formula: C27 H33 N7
• SMILES: Nc1ccccc1/C=N/CCN(CC/N=C/c1ccccc1N)CC/N=C/c1ccccc1N
• Title of publication: Tris{2-[(2-aminobenzylidene)amino]ethyl}amine
• Authors of publication: Elizondo García, Mariana; Bernès, Sylvain; Pérez Rodríguez, Nancy; Elizondo Martínez, Perla
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 12
• Pages of publication: o3054 - o3055
• a: 13.1075 ± 0.0018 Å
• b: 13.1075 ± 0.0018 Å
• c: 25.985 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 3866.3 ± 1.2 ų
• Cell temperature: 300 ± 1 K
• Ambient diffraction temperature: 300 ± 1 K
• Number of distinct elements: 3
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.1058
• Residual factor for significantly intense reflections: 0.0578
• Weighted residual factors for significantly intense reflections: 0.1378
• Weighted residual factors for all reflections included in the refinement: 0.1755
• Goodness-of-fit parameter for all reflections included in the refinement: 1.811
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes