Information card for entry 2204886

Structure parameters

• Chemical name: N,N,N',N'-tetrabenzylethylenediamine
• Formula: C30 H32 N2
• Calculated formula: C30 H32 N2
• SMILES: c1ccc(cc1)CN(Cc1ccccc1)CCN(Cc1ccccc1)Cc1ccccc1
• Title of publication: <i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-Tetrabenzylethylenediamine
• Authors of publication: Zhaohui Pan; Mingjie Zhang; Dongyan Yuan; Penggao Ma
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 1
• Pages of publication: o185 - o186
• a: 5.8718 ± 0.0019 Å
• b: 10.202 ± 0.003 Å
• c: 10.629 ± 0.003 Å
• α: 97.621 ± 0.006°
• β: 101.621 ± 0.006°
• γ: 93.951 ± 0.006°
• Cell volume: 615.2 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0882
• Residual factor for significantly intense reflections: 0.0453
• Weighted residual factors for significantly intense reflections: 0.1357
• Weighted residual factors for all reflections included in the refinement: 0.1807
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes