Information card for entry 7115588

Structure parameters

• Formula: C24 H23 F2 N O3 S2
• Calculated formula: C24 H23 F2 N O3 S2
• SMILES: S(=O)(=O)(C(F)(F)[C@@]1(N=S(=O)(c2c1cccc2)C(C)(C)C)c1ccccc1)c1ccccc1
• Title of publication: Stereoselective [3+2] cycloaddition of N-tert-butanesulfinyl imines to arynes facilitated by a removable PhSO2CF2 group: synthesis and transformation of cyclic sulfoximines
• Authors of publication: Wenchao Ye; Laijun Zhang; Chuanfa Ni; Jian Rong; Jinbo Hu
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 10596
• a: 10.0872 ± 0.0009 Å
• b: 14.0488 ± 0.0012 Å
• c: 16.2483 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2302.6 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0508
• Residual factor for significantly intense reflections: 0.0405
• Weighted residual factors for significantly intense reflections: 0.0786
• Weighted residual factors for all reflections included in the refinement: 0.0824
• Goodness-of-fit parameter for all reflections included in the refinement: 0.937
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No