Information card for entry 2202068

Structure parameters

• Chemical name: 2,2,6,6-tetramethyl-4-piperidonium trifluoroacetate
• Formula: C11 H18 F3 N O3
• Calculated formula: C11 H18 F3 N O3
• SMILES: C1([NH2+]C(CC(=O)C1)(C)C)(C)C.C(=O)([O-])C(F)(F)F
• Title of publication: 2,2,6,6-Tetramethyl-4-oxopiperidinium trifluoroacetate
• Authors of publication: Breitung, Sven; Lerner, Hans-Wolfram; Bolte, Michael
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 4
• Pages of publication: o445 - o446
• a: 6.6117 ± 0.0014 Å
• b: 9.1388 ± 0.0015 Å
• c: 11.3024 ± 0.0019 Å
• α: 90°
• β: 100.45 ± 0.017°
• γ: 90°
• Cell volume: 671.6 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.0673
• Residual factor for significantly intense reflections: 0.0494
• Weighted residual factors for significantly intense reflections: 0.1315
• Weighted residual factors for all reflections included in the refinement: 0.1409
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes