Information card for entry 4512242

Structure parameters

• Formula: C26 H26 N3 O7 S2
• Calculated formula: C26 H27 N3 O7 S2
• SMILES: S(=O)(=O)(N1[C@H](N(S(=O)(=O)c2ccc(OC)cc2)[C@@](C1)(C=C)C)c1c(C)cccc1)c1ccc(N(=O)=O)cc1
• Title of publication: Palladium-Catalyzed Asymmetric [3 + 2] Cycloaddition of 5-Vinyloxazolidinones with Imines Using Chiral Ammonium-Phosphine Hybrid Ligand
• Authors of publication: Ohmatsu, Kohsuke; Kawai, Shinya; Imagawa, Naomichi; Ooi, Takashi
• Journal of publication: ACS Catalysis
• Year of publication: 2014
• Journal volume: 4
• Journal issue: 12
• Pages of publication: 4304
• a: 10.08 ± 0.002 Å
• b: 20.648 ± 0.004 Å
• c: 13.183 ± 0.003 Å
• α: 90°
• β: 107.503 ± 0.003°
• γ: 90°
• Cell volume: 2616.8 ± 0.9 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0807
• Residual factor for significantly intense reflections: 0.0475
• Weighted residual factors for significantly intense reflections: 0.105
• Weighted residual factors for all reflections included in the refinement: 0.1308
• Goodness-of-fit parameter for all reflections included in the refinement: 0.963
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No