Information card for entry 1566679

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: 12.4943 ± 0.001 Å
• b: 9.9586 ± 0.0007 Å
• c: 16.762 ± 0.0013 Å
• α: 90°
• β: 95.6616 ± 0.0015°
• γ: 90°
• Cell volume: 2075.5 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0681
• Residual factor for significantly intense reflections: 0.0452
• Weighted residual factors for significantly intense reflections: 0.1077
• Weighted residual factors for all reflections included in the refinement: 0.1209
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No