Information card for entry 1566678

Structure parameters

• Formula: C23 H27 B O3
• Calculated formula: C23 H27 B O3
• Title of publication: Catalyst-Controlled Selective Borocarbonylation of Benzylidenecyclopropanes: Regiodivergent Synthesis of γ-Vinylboryl Ketones and β-Cyclopropylboryl Ketones
• Authors of publication: wu, Fu-Peng; Wu, Xiao-Feng
• Journal of publication: Chemical Science
• Year of publication: 2022
• a: 12.912 ± 0.0013 Å
• b: 10.1397 ± 0.001 Å
• c: 15.597 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2042 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0446
• Residual factor for significantly intense reflections: 0.0375
• Weighted residual factors for significantly intense reflections: 0.0905
• Weighted residual factors for all reflections included in the refinement: 0.0945
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No