Information card for entry 2226194

Structure parameters

• Chemical name: 1-Methoxy-2-methylpropan-2-aminium 2,2,2-trifluoroacetate
• Formula: C7 H14 F3 N O3
• Calculated formula: C7 H14 F3 N O3
• SMILES: [NH3+]C(COC)(C)C.FC(F)(F)C(=O)[O-]
• Title of publication: 1-Methoxy-2-methylpropan-2-aminium 2,2,2-trifluoroacetate
• Authors of publication: Wang, Kai; Li, Yu-Feng; Song, Xiang-Hua; Feng, Mei-Li; Zhu, Hong-Jun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 6
• Pages of publication: o1487
• a: 6.668 ± 0.0013 Å
• b: 8.99 ± 0.0018 Å
• c: 17.862 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1070.7 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0845
• Residual factor for significantly intense reflections: 0.0599
• Weighted residual factors for significantly intense reflections: 0.1662
• Weighted residual factors for all reflections included in the refinement: 0.183
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No