Information card for entry 4135144

Structure parameters

• Formula: C11 H17 Cl F N
• Calculated formula: C11 H17 Cl F N
• Title of publication: Hydrogen Bonding Phase-Transfer Catalysis with Ionic Reactants: Enantioselective Synthesis of γ-Fluoroamines.
• Authors of publication: Roagna, Giulia; Ascough, David M. H.; Ibba, Francesco; Vicini, Anna Chiara; Fontana, Alberto; Christensen, Kirsten E.; Peschiulli, Aldo; Oehlrich, Daniel; Misale, Antonio; Trabanco, Andrés A; Paton, Robert S.; Pupo, Gabriele; Gouverneur, Veronique
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2020
• a: 9.9504 ± 0.0001 Å
• b: 10.5265 ± 0.0001 Å
• c: 23.7547 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2488.14 ± 0.05 ų
• Cell temperature: 300 K
• Ambient diffraction temperature: 300 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: 0.0382
• Residual factor for significantly intense reflections: 0.0343
• Weighted residual factors for all reflections: 0.0997
• Weighted residual factors for significantly intense reflections: 0.0944
• Weighted residual factors for all reflections included in the refinement: 0.0997
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0011
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No