Information card for entry 7151590

Structure parameters

• Formula: C16 H19 Cl F N
• Calculated formula: C16 H19 Cl F N
• SMILES: [Cl-].[NH+](Cc1ccccc1)(Cc1ccccc1)CCF
• Title of publication: The observation of a large gauche preference when 2-fluoroethylamine and 2-fluoroethanol become protonated.
• Authors of publication: Briggs, Caroline R. S.; Allen, Mark J.; O'Hagan, David; Tozer, David J.; Slawin, Alexandra M. Z.; Goeta, Andrés E; Howard, Judith A. K.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2004
• Journal volume: 2
• Journal issue: 5
• Pages of publication: 732 - 740
• a: 6.821 ± 0.007 Å
• b: 10.177 ± 0.009 Å
• c: 12.07 ± 0.02 Å
• α: 110.74 ± 0.13°
• β: 90.8 ± 0.2°
• γ: 103.32 ± 0.09°
• Cell volume: 758.3 ± 1.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1876
• Residual factor for significantly intense reflections: 0.0887
• Weighted residual factors for significantly intense reflections: 0.2026
• Weighted residual factors for all reflections included in the refinement: 0.2708
• Goodness-of-fit parameter for all reflections included in the refinement: 0.935
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No