Information card for entry 7157274

Structure parameters

• Common name: EIT_DB_004_01
• Formula: C16 H11 F N2 O2
• Calculated formula: C16 H11 F N2 O2
• Title of publication: Enantioselective catalytic synthesis of α-aryl-α-SCF₃-β^2,2-amino acids.
• Authors of publication: Eitzinger, Andreas; Brière, Jean-François; Cahard, Dominique; Waser, Mario
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2020
• Journal volume: 18
• Journal issue: 3
• Pages of publication: 405 - 408
• a: 8.0852 ± 0.0007 Å
• b: 7.8019 ± 0.0006 Å
• c: 21.7718 ± 0.0019 Å
• α: 90°
• β: 97.796 ± 0.003°
• γ: 90°
• Cell volume: 1360.7 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• 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: 0.0523
• Residual factor for significantly intense reflections: 0.0417
• Weighted residual factors for significantly intense reflections: 0.0993
• Weighted residual factors for all reflections included in the refinement: 0.1099
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No