Information card for entry 2210268

Structure parameters

• Chemical name: 1,4-bis(benzylamino)benzene
• Formula: C20 H20 N2
• Calculated formula: C20 H20 N2
• SMILES: c1ccc(cc1)CNc1ccc(cc1)NCc1ccccc1
• Title of publication: 1,4-Bis(benzylamino)benzene
• Authors of publication: Ge, Wen-Zhong; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 9
• Pages of publication: o3784 - o3785
• a: 11.912 ± 0.001 Å
• b: 5.5402 ± 0.0008 Å
• c: 11.895 ± 0.001 Å
• α: 90°
• β: 93.47 ± 0.01°
• γ: 90°
• Cell volume: 783.57 ± 0.15 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.052
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.097
• Weighted residual factors for all reflections included in the refinement: 0.105
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes