Information card for entry 4516687

Structure parameters

• Formula: C25 H23 N O5 S
• Calculated formula: C25 H23 N O5 S
• SMILES: S1(=O)(=O)N(C(=O)c2ccccc2)[C@@](CCc2ccccc2)(C(=O)OCC)c2c1cccc2
• Title of publication: Nickel-Catalyzed Enantioselective Addition of Styrenes to Cyclic N-Sulfonyl α-Ketiminoesters
• Authors of publication: Liu, Ren-Rong; Wang, Dan-Jie; Wu, Liang; Xiang, Bin; Zhang, Guo-Qi; Gao, Jian-Rong; Jia, Yi-Xia
• Journal of publication: ACS Catalysis
• Year of publication: 2015
• Journal volume: 5
• Journal issue: 11
• Pages of publication: 6524
• a: 8.8035 ± 0.0002 Å
• b: 14.912 ± 0.0003 Å
• c: 17.9438 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2355.62 ± 0.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0372
• Residual factor for significantly intense reflections: 0.0326
• Weighted residual factors for significantly intense reflections: 0.0799
• Weighted residual factors for all reflections included in the refinement: 0.087
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No