Information card for entry 4133903

Structure parameters

• Formula: C19 H19 F2 N O4 Si
• Calculated formula: C19 H19 F2 N O4 Si
• SMILES: [Si](c1ccccc1)([C@@H](COC(=O)c1ccc(N(=O)=O)cc1)C=C(F)F)(C)C
• Title of publication: Catalytic Enantioselective Boryl and Silyl Substitution with Trifluoromethyl Alkenes: Scope, Utility, and Mechanistic Nuances of Cu-F β-Elimination.
• Authors of publication: Paioti, Paulo H. S.; Del Pozo, Juan; Mikus, Malte S.; Lee, Jaehee; Koh, Ming Joo; Romiti, Filippo; Torker, Sebastian; Hoveyda, Amir H.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 50
• Pages of publication: 19917 - 19934
• a: 6.6591 ± 0.0003 Å
• b: 7.0377 ± 0.0003 Å
• c: 41.661 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1952.43 ± 0.14 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0422
• Residual factor for significantly intense reflections: 0.0388
• Weighted residual factors for significantly intense reflections: 0.1
• Weighted residual factors for all reflections included in the refinement: 0.1025
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No