Information card for entry 4517382

Structure parameters

• Formula: C20 H23 F3 O Si
• Calculated formula: C20 H23 F3 O Si
• SMILES: [Si](C(=C\CC(O)(c1ccccc1)C(F)(F)F)\C)(c1ccccc1)(C)C
• Title of publication: Silyl-Group-Directed Linear-Selective Allylation of Carbonyl Compounds with Trisubstituted Allylboronates Using a Copper(I) Catalyst
• Authors of publication: Iwamoto, Hiroaki; Hayashi, Yuta; Ozawa, Yu; Ito, Hajime
• Journal of publication: ACS Catalysis
• Year of publication: 2020
• Pages of publication: 2471
• a: 13.3534 ± 0.0002 Å
• b: 19.2873 ± 0.0003 Å
• c: 14.681 ± 0.0002 Å
• α: 90°
• β: 94.714 ± 0.002°
• γ: 90°
• Cell volume: 3768.32 ± 0.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0552
• Residual factor for significantly intense reflections: 0.0516
• Weighted residual factors for significantly intense reflections: 0.1733
• Weighted residual factors for all reflections included in the refinement: 0.1793
• Goodness-of-fit parameter for all reflections included in the refinement: 1.114
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No