Information card for entry 2205228

Structure parameters

• Chemical name: 2-tert-Butoxy-1-phenyl-1-(2,2,6,6-tetramethylpiperidin-1-yloxy)ethane
• Formula: C21 H35 N O2
• Calculated formula: C21 H35 N O2
• SMILES: O(N1C(CCCC1(C)C)(C)C)C(c1ccccc1)COC(C)(C)C
• Title of publication: 2-<i>tert</i>-Butoxy-1-phenyl-1-(2,2,6,6-tetramethylpiperidin-1-yloxy)ethane
• Authors of publication: Batsanov, Andrei S.; Reid, Alistair J.; Cameron, Neil
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 3
• Pages of publication: o716 - o717
• a: 15.532 ± 0.004 Å
• b: 11.119 ± 0.003 Å
• c: 23.247 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4014.8 ± 1.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.0451
• Residual factor for significantly intense reflections: 0.0389
• Weighted residual factors for significantly intense reflections: 0.1064
• Weighted residual factors for all reflections included in the refinement: 0.1144
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes