Information card for entry 2217471

Structure parameters

• Chemical name: 4-Hydroxy-2,2,6,6-tetramethylpiperidinium hydrogensulfate monohydrat
• Formula: C9 H23 N O6 S
• Calculated formula: C9 H23 N O6 S
• SMILES: S(=O)(=O)(O)[O-].OC1CC([NH2+]C(C1)(C)C)(C)C.O
• Title of publication: 4-Hydroxy-2,2,6,6-tetramethylpiperidinium hydrogensulfate monohydrate
• Authors of publication: Li Xiao; Yun-Hui Zhang; Ying Cui; Xing-Hua Jin; Wei Wang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 2
• Pages of publication: o350 - o350
• a: 8.334 ± 0.003 Å
• b: 8.518 ± 0.003 Å
• c: 10.245 ± 0.003 Å
• α: 78.465 ± 0.005°
• β: 82.546 ± 0.005°
• γ: 71.586 ± 0.004°
• Cell volume: 674.4 ± 0.4 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0526
• Residual factor for significantly intense reflections: 0.0404
• Weighted residual factors for significantly intense reflections: 0.0982
• Weighted residual factors for all reflections included in the refinement: 0.1076
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes