Information card for entry 2206993

Structure parameters

• Chemical name: 4-(Benzenesulfonyloxy)-2,2,6,6-tetramethylpiperidin-4-yl oxide
• Formula: C15 H22 N O4 S
• Calculated formula: C15 H22 N O4 S
• SMILES: c1ccccc1S(=O)(=O)OC1CC(C)(C)[N](C(C)(C)C1)=O
• Title of publication: 4-(Benzenesulfonyloxy)-2,2,6,6-tetramethylpiperidin-4-yl oxide
• Authors of publication: Zhou, Bao-Han; Meng, Xiang-Gao; Yin, Guo-Dong; Wu, An-Xin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 10
• Pages of publication: o3377 - o3379
• a: 11.4827 ± 0.0009 Å
• b: 15.6864 ± 0.0013 Å
• c: 18.4671 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3326.3 ± 0.5 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 5
• 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: 0.0683
• Residual factor for significantly intense reflections: 0.0467
• Weighted residual factors for significantly intense reflections: 0.1303
• Weighted residual factors for all reflections included in the refinement: 0.1455
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes