Information card for entry 2215518

Structure parameters

• Chemical name: 4-Amino-2,2,6,6-tetramethylpiperidin-1-ium chloride monohydrate
• Formula: C9 H23 Cl N2 O
• Calculated formula: C9 H23 Cl N2 O
• SMILES: [Cl-].[NH2+]1C(CC(N)CC1(C)C)(C)C.O
• Title of publication: 4-Amino-2,2,6,6-tetramethylpiperidin-1-ium chloride monohydrate
• Authors of publication: Huang, Peng-Mian; Deng, Yi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 10
• Pages of publication: o4170 - o4170
• a: 14.1959 ± 0.0009 Å
• b: 12.7099 ± 0.0007 Å
• c: 12.5451 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2263.5 ± 0.2 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0365
• Residual factor for significantly intense reflections: 0.0359
• Weighted residual factors for significantly intense reflections: 0.085
• Weighted residual factors for all reflections included in the refinement: 0.0853
• Goodness-of-fit parameter for all reflections included in the refinement: 1.151
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes