Information card for entry 1555523

Structure parameters

• Formula: C17 H25 Cl F N O
• Calculated formula: C17 H25 Cl F N O
• SMILES: [Cl-].O1CC[NH+](CC1)CC(=C\F)\c1ccc(cc1)C(C)(C)C
• Title of publication: Exploiting a Difference in Leaving Group Ability: An Approach to β-Substituted Monofluoroalkenes Using gem-Chlorofluoropropenes.
• Authors of publication: Hamel, Jean-Denys; Cloutier, Mélissa; Paquin, Jean-François
• Journal of publication: Organic letters
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 8
• Pages of publication: 1852 - 1855
• a: 13.3762 ± 0.0008 Å
• b: 9.6596 ± 0.0006 Å
• c: 13.4588 ± 0.0008 Å
• α: 90°
• β: 93.8818 ± 0.001°
• γ: 90°
• Cell volume: 1735.01 ± 0.18 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0384
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for significantly intense reflections: 0.0832
• Weighted residual factors for all reflections included in the refinement: 0.0887
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0425
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No