Information card for entry 2205665

Structure parameters

• Chemical name: N,N'-diphenylethylenediamine
• Formula: C14 H16 N2
• Calculated formula: C14 H16 N2
• SMILES: C(Nc1ccccc1)CNc1ccccc1
• Title of publication: <i>N,N</i>'-Diphenylethylenediamine, an N—H···π- and C—H···π-bonded network
• Authors of publication: Lennartson, Anders; Kokoli, Theonitsa; Håkansson, Mikael
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 5
• Pages of publication: o1245 - o1247
• a: 5.883 ± 0.002 Å
• b: 8.022 ± 0.003 Å
• c: 12.387 ± 0.005 Å
• α: 90°
• β: 90.185 ± 0.015°
• γ: 90°
• Cell volume: 584.6 ± 0.4 ų
• Cell temperature: 292 ± 2 K
• Ambient diffraction temperature: 292 ± 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: 0.0727
• Residual factor for significantly intense reflections: 0.0514
• Weighted residual factors for significantly intense reflections: 0.1452
• Weighted residual factors for all reflections included in the refinement: 0.1571
• Goodness-of-fit parameter for all reflections included in the refinement: 0.995
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes