Information card for entry 2212435

Structure parameters

• Chemical name: 1-Benzyl-4-(4-tert-butylphenyl)piperazine
• Formula: C21 H28 N2
• Calculated formula: C21 H28 N2
• SMILES: c1(ccc(cc1)C(C)(C)C)N1CCN(CC1)Cc1ccccc1
• Title of publication: 1-Benzyl-4-(4-<i>tert</i>-butylphenyl)piperazine
• Authors of publication: Li-Chao Yang; Li, Yi-Zhi; Sen-Zhi Zhao; Lin Wu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 3
• Pages of publication: o1097 - o1098
• a: 6.2461 ± 0.0011 Å
• b: 15.66 ± 0.003 Å
• c: 18.678 ± 0.003 Å
• α: 90°
• β: 92.626 ± 0.003°
• γ: 90°
• Cell volume: 1825 ± 0.6 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 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: 0.0987
• Residual factor for significantly intense reflections: 0.057
• Weighted residual factors for significantly intense reflections: 0.1464
• Weighted residual factors for all reflections included in the refinement: 0.1632
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes