Information card for entry 1507063

Structure parameters

• Formula: C14 H22 F3 N O3
• Calculated formula: C14 H22 F3 N O3
• SMILES: [NH2+]1CCCC[C@]1([C@@H]1CC(=O)CCC1)C.C(=O)(C(F)(F)F)[O-].[NH2+]1CCCC[C@@]1([C@H]1CC(=O)CCC1)C.C(=O)(C(F)(F)F)[O-]
• Title of publication: Generation and utility of tertiary alpha-aminoorganolithium reagents.
• Authors of publication: Wolckenhauer, Scott A.; Rychnovsky, Scott D.
• Journal of publication: Organic letters
• Year of publication: 2004
• Journal volume: 6
• Journal issue: 16
• Pages of publication: 2745 - 2748
• a: 8.8599 ± 0.0009 Å
• b: 20.656 ± 0.002 Å
• c: 9.0612 ± 0.0009 Å
• α: 90°
• β: 114.216 ± 0.002°
• γ: 90°
• Cell volume: 1512.4 ± 0.3 ų
• Cell temperature: 163 ± 2 K
• Ambient diffraction temperature: 163 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0633
• Residual factor for significantly intense reflections: 0.0422
• Weighted residual factors for significantly intense reflections: 0.0958
• Weighted residual factors for all reflections included in the refinement: 0.1098
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No