Information card for entry 2007271

Structure parameters

• Chemical name: 1,4-bis(2-aminobenzyl)-1,4-diazacyclohexane
• Formula: C18 H24 N4
• Calculated formula: C18 H24 N4
• SMILES: Nc1ccccc1CN1CCN(CC1)Cc1ccccc1N
• Title of publication: 1,4-Bis(2-aminobenzyl)-1,4-diazacyclohexane
• Authors of publication: Li, Wan-Sheung; Vatsadze, Sergei V.; Blake, Alexander J.; Mountford, Philip
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 5
• Pages of publication: IUC9800019
• a: 6.5694 ± 0.0015 Å
• b: 8.917 ± 0.002 Å
• c: 13.696 ± 0.003 Å
• α: 90°
• β: 96.14 ± 0.03°
• γ: 90°
• Cell volume: 797.7 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0484
• Residual factor for significantly intense reflections: 0.0357
• Weighted residual factors for all reflections included in the refinement: 0.0919
• Goodness-of-fit parameter for all reflections included in the refinement: 1.102
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes