Information card for entry 1572748

Structure parameters

• Formula: C18 H18 F3 N O2 S
• Calculated formula: C18 H18 F3 N O2 S
• Title of publication: Photocatalyst-free, visible-light-induced regio- and stereoselective synthesis of phosphorylated enamines from N-allenamides via [1,3]-sulfonyl shift at room temperature
• Authors of publication: Guo, Jia-Dong; Alemu Korsaye, Feven; Schutz, Dorian; Ciofini, Ilaria; Miesch, Laurence
• Journal of publication: Chemical Science
• Year of publication: 2024
• a: 17.628 ± 0.002 Å
• b: 7.0992 ± 0.001 Å
• c: 13.6449 ± 0.0016 Å
• α: 90°
• β: 92.821 ± 0.007°
• γ: 90°
• Cell volume: 1705.5 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0796
• Residual factor for significantly intense reflections: 0.0443
• Weighted residual factors for significantly intense reflections: 0.1183
• Weighted residual factors for all reflections included in the refinement: 0.1459
• Goodness-of-fit parameter for all reflections included in the refinement: 0.856
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No