Information card for entry 2200454

Structure parameters

• Chemical name: 4-tert-Butyl-2,6-bis(piperidinomethyl)phenol
• Formula: C22 H36 N2 O
• Calculated formula: C22 H36 N2 O
• SMILES: c1(c(cc(cc1CN1CCCCC1)C(C)(C)C)CN1CCCCC1)O
• Title of publication: 4-<i>tert</i>-Butyl-2,6-bis(piperidinomethyl)phenol
• Authors of publication: Abdul Ajees, A.; Sekar, K.; Marrappan, M.; Kandasamy, M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 9
• Pages of publication: o878 - o880
• a: 10.54 ± 0.002 Å
• b: 12.153 ± 0.003 Å
• c: 9.786 ± 0.002 Å
• α: 106.2 ± 0.03°
• β: 116.89 ± 0.03°
• γ: 87.18 ± 0.04°
• Cell volume: 1069.2 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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 all reflections: 0.059
• Residual factor for significantly intense reflections: 0.057
• Weighted residual factors for all reflections included in the refinement: 0.176
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No