Information card for entry 2241299

Structure parameters

• Chemical name: 1-Hydroxy-2,2,6,6-tetramethylpiperidin-1-ium trifluoromethanesulfonate
• Formula: C10 H20 F3 N O4 S
• Calculated formula: C10 H20 F3 N O4 S
• SMILES: C1(CCCC(C)(C)[NH+]1O)(C)C.C(F)(F)(F)S(=O)(=O)[O-]
• Title of publication: Crystal structure of 1-hydroxy-2,2,6,6-tetramethylpiperidin-1-ium trifluoromethanesulfonate
• Authors of publication: Godemann, Christian; Spannenberg, Anke; Beweries, Torsten
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 12
• Pages of publication: o921
• a: 8.2824 ± 0.0002 Å
• b: 8.7656 ± 0.0002 Å
• c: 10.5703 ± 0.0003 Å
• α: 79.5417 ± 0.0007°
• β: 76.5159 ± 0.0007°
• γ: 75.5022 ± 0.0006°
• Cell volume: 716.28 ± 0.03 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0388
• Residual factor for significantly intense reflections: 0.0335
• Weighted residual factors for significantly intense reflections: 0.0895
• Weighted residual factors for all reflections included in the refinement: 0.0942
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes