Information card for entry 4514766

Structure parameters

• Formula: C20 H27 N O6
• Calculated formula: C20 H27 N O6
• SMILES: O(C(=O)C(=C)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)Cc1ccccc1
• Title of publication: Synthesis of α-Fluoro-α-Amino Acid Derivatives via Photoredox-Catalyzed Carbofluorination.
• Authors of publication: Sim, Jaehoon; Campbell, Mark W.; Molander, Gary A.
• Journal of publication: ACS catalysis
• Year of publication: 2019
• Journal volume: 9
• Journal issue: 2
• Pages of publication: 1558 - 1563
• a: 6.03 ± 0.0002 Å
• b: 19.3547 ± 0.0008 Å
• c: 9.0029 ± 0.0003 Å
• α: 90°
• β: 102.453 ± 0.001°
• γ: 90°
• Cell volume: 1026 ± 0.06 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0296
• Residual factor for significantly intense reflections: 0.0279
• Weighted residual factors for significantly intense reflections: 0.0653
• Weighted residual factors for all reflections included in the refinement: 0.0664
• Goodness-of-fit parameter for all reflections included in the refinement: 1.162
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No