Information card for entry 7122717

Structure parameters

• Chemical name: tert-butyl 5-butyl-3-oxo-4-(trifluoro-l4-boraneyl)-3,6-dihydropyridine-1(2H)-carboxylate, potassium salt
• Formula: C13 H18 B F3 K N O3
• Calculated formula: C13 H18 B F3 K N O3
• Title of publication: Regioselective Cycloaddition of Potassium Alkynyltrifluoroborates with 3-Azetidinones and 3-Oxetanone by Nickel-Catalysed C‒C Bond Activation
• Authors of publication: Elwrfalli, Fathi; Esvan, Yannick J.; Robertson, Craig M.; Aissa, Christophe
• Journal of publication: Chemical Communications
• Year of publication: 2018
• a: 13.296 ± 0.003 Å
• b: 5.8346 ± 0.001 Å
• c: 21.585 ± 0.004 Å
• α: 90°
• β: 103.096 ± 0.007°
• γ: 90°
• Cell volume: 1630.9 ± 0.6 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 7
• 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: 0.0808
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for significantly intense reflections: 0.1234
• Weighted residual factors for all reflections included in the refinement: 0.1513
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No