Information card for entry 2010279

Structure parameters

• Formula: C22 H38 N4 O
• Calculated formula: C22 H38 N4 O
• SMILES: CN1CCN(CC1)Cc1cc(cc(c1O)CN1CCN(CC1)C)C(C)(C)C
• Title of publication: 4-<i>tert</i>-Butyl-2,6-bis[(4-methyl-1-piperazinyl)methyl]phenol
• Authors of publication: Shanmuga Sundara Raj, S.; Velmurugan, D.; Subramanian, E.; Kandaswamy, M.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1994
• Journal volume: 50
• Journal issue: 12
• Pages of publication: 2007 - 2009
• a: 9.72 ± 0.001 Å
• b: 9.945 ± 0.001 Å
• c: 12.172 ± 0.003 Å
• α: 84.53 ± 0.01°
• β: 84.97 ± 0.02°
• γ: 83.49 ± 0.01°
• Cell volume: 1160.2 ± 0.3 ų
• Cell temperature: 298 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.061
• Weighted residual factors for significantly intense reflections: 0.071
• Goodness-of-fit parameter for significantly intense reflections: 0.53
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No