Information card for entry 7106317

Structure parameters

• Formula: C23 H27 N O7 S
• Calculated formula: C23 H27 N O7 S
• SMILES: S(=O)(=O)(N1C([C@@](OC)(C[C@H]1c1ccccc1)C)(C(=O)OC)C(=O)OC)c1ccc(C)cc1.S(=O)(=O)(N1C([C@](OC)(C[C@@H]1c1ccccc1)C)(C(=O)OC)C(=O)OC)c1ccc(C)cc1
• Title of publication: Lewis Acid - Catalyzed Formal [3+2] Cycloadditions of N-Tosyl Aziridines with Electron-rich Alkenes via Selective Carbon-Carbon Bond Cleavage
• Authors of publication: Lei Li; Xingxing Wu; Junliang Zhang
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 5049
• a: 10.2984 ± 0.0003 Å
• b: 12.7982 ± 0.0003 Å
• c: 17.1922 ± 0.0005 Å
• α: 90°
• β: 93.109 ± 0.001°
• γ: 90°
• Cell volume: 2262.61 ± 0.11 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: 0.0437
• Residual factor for significantly intense reflections: 0.0366
• Weighted residual factors for significantly intense reflections: 0.0965
• Weighted residual factors for all reflections included in the refinement: 0.1041
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No