Information card for entry 4117982

Structure parameters

• Common name: RJPC115
• Chemical name: toste62
• Formula: C19 H18 F N O
• Calculated formula: C19 H18 F N O
• SMILES: [C@]1(CCCC=C1NC(=O)c1ccccc1)(c1ccccc1)F
• Title of publication: Asymmetric Fluorination of Enamides: Access to α-Fluoroimines Using an Anionic Chiral Phase-Transfer Catalyst
• Authors of publication: Robert J. Phipps; Kenichi Hiramatsu; F. Dean Toste
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2012
• Journal volume: 134
• Pages of publication: 8376 - 8379
• a: 7.7437 ± 0.0008 Å
• b: 10.4774 ± 0.0011 Å
• c: 9.3702 ± 0.001 Å
• α: 90°
• β: 94.759 ± 0.004°
• γ: 90°
• Cell volume: 757.62 ± 0.14 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0272
• Residual factor for significantly intense reflections: 0.0271
• Weighted residual factors for significantly intense reflections: 0.0726
• Weighted residual factors for all reflections included in the refinement: 0.0726
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No