Information card for entry 1547011

Structure parameters

• Formula: C18 H17 F N2 O
• Calculated formula: C18 H17 F N2 O
• SMILES: Fc1ccc(cc1C#N)[C@H]1NC[C@](OC1)(C)c1ccccc1.Fc1ccc(cc1C#N)[C@@H]1NC[C@@](OC1)(C)c1ccccc1
• Title of publication: Continuous Flow Synthesis of Morpholines and Oxazepanes with Silicon Amine Protocol (SLAP) Reagents and Lewis Acid Facilitated Photoredox Catalysis.
• Authors of publication: Jackl, Moritz K.; Legnani, Luca; Morandi, Bill; Bode, Jeffrey W.
• Journal of publication: Organic letters
• Year of publication: 2017
• Journal volume: 19
• Journal issue: 17
• Pages of publication: 4696 - 4699
• a: 35.217 ± 0.0007 Å
• b: 5.7717 ± 0.0001 Å
• c: 14.5002 ± 0.0002 Å
• α: 90°
• β: 101.811 ± 0.002°
• γ: 90°
• Cell volume: 2884.94 ± 0.09 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 5
• 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: 0.039
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for significantly intense reflections: 0.0917
• Weighted residual factors for all reflections included in the refinement: 0.094
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No