Information card for entry 4519288

Structure parameters

• Formula: C20 H21 F2 N O3 Si
• Calculated formula: C20 H21 F2 N O3 Si
• SMILES: [Si]([C@@](O)(C(F)F)[C@H](C#Cc1ccc(cc1)N(=O)=O)C)(c1ccccc1)(C)C
• Title of publication: Synthesis of Enantioenriched Fluorinated Enol Silanes Enabled by Asymmetric Reductive Coupling of Fluoroalkylacylsilanes and 1,3-Enynes and Brook Rearrangement
• Authors of publication: Fang, Xiaowu; Wen, Songwei; Jin, Peishen; Bao, Wenjing; Liu, Shanshan; Cong, Hengjiang; Shen, Xiao
• Journal of publication: ACS Catalysis
• Year of publication: 2022
• Pages of publication: 2150 - 2157
• a: 9.1912 ± 0.0007 Å
• b: 12.9247 ± 0.0008 Å
• c: 18.6126 ± 0.0005 Å
• α: 97.232 ± 0.004°
• β: 97.041 ± 0.005°
• γ: 109.612 ± 0.006°
• Cell volume: 2033.8 ± 0.2 ų
• Cell temperature: 274 ± 30 K
• Ambient diffraction temperature: 274 ± 30 K
• Number of distinct elements: 6
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.2528
• Residual factor for significantly intense reflections: 0.1285
• Weighted residual factors for significantly intense reflections: 0.3256
• Weighted residual factors for all reflections included in the refinement: 0.4322
• Goodness-of-fit parameter for all reflections included in the refinement: 1.138
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No