Information card for entry 1567761

Structure parameters

• Formula: C13 H20 B F3 N2 O3
• Calculated formula: C13 H20 B F3 N2 O3
• Title of publication: Iminologous epoxide ring-closure
• Authors of publication: Tien, Chieh-Hung; Lough, Alan J.; Yudin, Andrei K.
• Journal of publication: Chemical Science
• Year of publication: 2022
• Journal volume: 13
• Journal issue: 41
• Pages of publication: 12175 - 12179
• a: 31.0762 ± 0.0014 Å
• b: 9.4685 ± 0.0004 Å
• c: 12.1756 ± 0.0005 Å
• α: 90°
• β: 91.156 ± 0.002°
• γ: 90°
• Cell volume: 3581.9 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0504
• Residual factor for significantly intense reflections: 0.0451
• Weighted residual factors for significantly intense reflections: 0.121
• Weighted residual factors for all reflections included in the refinement: 0.124
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No