Information card for entry 2228213

Structure parameters

• Chemical name: 1,4-Dibenzylpiperazine
• Formula: C18 H22 N2
• Calculated formula: C18 H22 N2
• SMILES: N1(Cc2ccccc2)CCN(CC1)Cc1ccccc1
• Title of publication: 1,4-Dibenzylpiperazine
• Authors of publication: Zhang, Meng; Zhou, Yong-hong; Hu, Li-hong; Yang, Xiao-hui
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 12
• Pages of publication: o3336
• a: 7.513 ± 0.0015 Å
• b: 19.127 ± 0.004 Å
• c: 21.366 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3070.3 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1009
• Residual factor for significantly intense reflections: 0.0517
• Weighted residual factors for significantly intense reflections: 0.1187
• Weighted residual factors for all reflections included in the refinement: 0.1406
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes