Information card for entry 2217786

Structure parameters

• Chemical name: 4-Hydroxy-2,2,6,6-tetramethylpiperidinium trichloroacetate
• Formula: C11 H20 Cl3 N O3
• Calculated formula: C11 H20 Cl3 N O3
• SMILES: ClC(Cl)(Cl)C(=O)[O-].OC1CC([NH2+]C(C1)(C)C)(C)C
• Title of publication: 4-Hydroxy-2,2,6,6-tetramethylpiperidinium trichloroacetate
• Authors of publication: Zhang, Peng-Wei; Zhang, Tong-Yun; Zhang, Li; Deng, Yi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 3
• Pages of publication: o641
• a: 6.3468 ± 0.0013 Å
• b: 14.45 ± 0.003 Å
• c: 8.2175 ± 0.0016 Å
• α: 90°
• β: 95.19 ± 0.03°
• γ: 90°
• Cell volume: 750.5 ± 0.3 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0254
• Residual factor for significantly intense reflections: 0.0235
• Weighted residual factors for significantly intense reflections: 0.0591
• Weighted residual factors for all reflections included in the refinement: 0.0596
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes