Information card for entry 1548939

Structure parameters

• Formula: C22 H23 N O2 Si
• Calculated formula: C22 H23 N O2 Si
• SMILES: [Si](C([C@@]1([C@@]2(C(=O)N(c3c2cccc3)C)C1)c1ccccc1)=C=O)(C)(C)C
• Title of publication: An unusual stereoretentive 1,3-quaternary carbon shift resulting in an enantioselective Rh^II-catalyzed formal [4+1]-cycloaddition between diazo compounds and vinyl ketenes.
• Authors of publication: Rodriguez, Kevin X.; Pilato, Tara C.; Ashfeld, Brandon L.
• Journal of publication: Chemical science
• Year of publication: 2018
• Journal volume: 9
• Journal issue: 12
• Pages of publication: 3221 - 3226
• a: 10.4794 ± 0.0008 Å
• b: 7.0464 ± 0.0006 Å
• c: 13.4791 ± 0.001 Å
• α: 90°
• β: 100.094 ± 0.005°
• γ: 90°
• Cell volume: 979.92 ± 0.13 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0774
• Residual factor for significantly intense reflections: 0.0596
• Weighted residual factors for significantly intense reflections: 0.1657
• Weighted residual factors for all reflections included in the refinement: 0.2024
• Goodness-of-fit parameter for all reflections included in the refinement: 1.269
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No