Information card for entry 2232293

Structure parameters

• Chemical name: 1,4-Bis(4-<i>tert</i>-butylbenzyl)piperazine
• Formula: C26 H38 N2
• Calculated formula: C26 H38 N2
• SMILES: CC(c1ccc(cc1)CN1CCN(CC1)Cc1ccc(cc1)C(C)(C)C)(C)C
• Title of publication: 1,4-Bis(4-<i>tert</i>-butylbenzyl)piperazine
• Authors of publication: Luo, Li-Juan; Weng, Jian-Quan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 11
• Pages of publication: o3094
• a: 6.162 ± 0.004 Å
• b: 9.616 ± 0.005 Å
• c: 10.656 ± 0.007 Å
• α: 114.279 ± 0.019°
• β: 92.42 ± 0.05°
• γ: 96.5 ± 0.04°
• Cell volume: 569.1 ± 0.6 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0631
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.0931
• Weighted residual factors for all reflections included in the refinement: 0.0985
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes