Information card for entry 2238759

Structure parameters

• Chemical name: <i>N</i>,<i>N</i>,<i>N</i>'-Tris[(1<i>H</i>-indol-3-yl)methyl]ethane-1,2-diamine
• Formula: C29 H29 N5
• Calculated formula: C29 H29 N5
• SMILES: C(CNCc1c[nH]c2c1cccc2)N(Cc1c[nH]c2c1cccc2)Cc1c[nH]c2c1cccc2
• Title of publication: <i>N</i>,<i>N</i>,<i>N</i>'-Tris[(1<i>H</i>-indol-3-yl)methyl]ethane-1,2-diamine
• Authors of publication: Li, Yan-Jun; Wang, De-Ju
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 11
• Pages of publication: o1678
• a: 13.769 ± 0.003 Å
• b: 10.832 ± 0.002 Å
• c: 16.91 ± 0.003 Å
• α: 90°
• β: 106.512 ± 0.003°
• γ: 90°
• Cell volume: 2418 ± 0.8 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 3
• 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: 0.081
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for significantly intense reflections: 0.0983
• Weighted residual factors for all reflections included in the refinement: 0.1137
• Goodness-of-fit parameter for all reflections included in the refinement: 0.988
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No