Information card for entry 7106316

Structure parameters

• Formula: C24 H27 N O7 S
• Calculated formula: C24 H27 N O7 S
• SMILES: S(=O)(=O)(N1C([C@H]2OCCC[C@@H]2[C@@H]1c1ccccc1)(C(=O)OC)C(=O)OC)c1ccc(cc1)C.S(=O)(=O)(N1C([C@@H]2OCCC[C@H]2[C@H]1c1ccccc1)(C(=O)OC)C(=O)OC)c1ccc(cc1)C
• 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: 11.3198 ± 0.0005 Å
• b: 13.9651 ± 0.0007 Å
• c: 14.8228 ± 0.0007 Å
• α: 90°
• β: 104.049 ± 0.001°
• γ: 90°
• Cell volume: 2273.13 ± 0.19 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0442
• Residual factor for significantly intense reflections: 0.0381
• Weighted residual factors for significantly intense reflections: 0.1032
• Weighted residual factors for all reflections included in the refinement: 0.11
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No