Information card for entry 1549849

Structure parameters

• Formula: C26 H32 N2 O8 S
• Calculated formula: C26 H32 N2 O8 S
• SMILES: S(=O)(=O)(NC[C@]1(OC(=O)OC(C)(C)C)C(=O)N(c2c1cccc2)C(=O)OC(C)(C)C)c1ccc(cc1)C
• Title of publication: Catalytic enantioselective radical coupling of activated ketones with <i>N</i>-aryl glycines.
• Authors of publication: Liu, Yang; Liu, Xiangyuan; Li, Jiangtao; Zhao, Xiaowei; Qiao, Baokun; Jiang, Zhiyong
• Journal of publication: Chemical science
• Year of publication: 2018
• Journal volume: 9
• Journal issue: 42
• Pages of publication: 8094 - 8098
• a: 6.25857 ± 0.00015 Å
• b: 10.36 ± 0.0006 Å
• c: 11.9013 ± 0.0006 Å
• α: 64.561 ± 0.005°
• β: 87.812 ± 0.003°
• γ: 84.16 ± 0.003°
• Cell volume: 693.22 ± 0.06 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0522
• Residual factor for significantly intense reflections: 0.0466
• Weighted residual factors for significantly intense reflections: 0.1286
• Weighted residual factors for all reflections included in the refinement: 0.1324
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No