Information card for entry 7228406

Structure parameters

• Formula: C23 H24 N O5 S2
• Calculated formula: C23 H24 N O5 S2
• SMILES: S(=O)(=O)(c1ccccc1)[C@@H]1ON([C@@H]([C@H]1S(=O)(=O)c1ccccc1)c1ccccc1C)C.S(=O)(=O)(c1ccccc1)[C@H]1ON([C@H]([C@@H]1S(=O)(=O)c1ccccc1)c1ccccc1C)C
• Title of publication: Lewis base-catalyzed diastereoselective [3 + 2] cycloaddition reaction of nitrones with electron-deficient alkenes: an access to isoxazolidine derivatives
• Authors of publication: Liu, Honglei; Zhao, Yan; Li, Zhen; Jia, Hao; Zhang, Cheng; Xiao, Yumei; Guo, Hongchao
• Journal of publication: RSC Adv.
• Year of publication: 2017
• Journal volume: 7
• Journal issue: 47
• Pages of publication: 29515
• a: 10.184 ± 0.002 Å
• b: 10.71 ± 0.002 Å
• c: 11.083 ± 0.002 Å
• α: 104.7 ± 0.03°
• β: 103.61 ± 0.03°
• γ: 102.46 ± 0.03°
• Cell volume: 1086.5 ± 0.5 ų
• Cell temperature: 173.15 K
• Ambient diffraction temperature: 173.15 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0397
• Residual factor for significantly intense reflections: 0.0373
• Weighted residual factors for significantly intense reflections: 0.0912
• Weighted residual factors for all reflections included in the refinement: 0.0928
• Goodness-of-fit parameter for all reflections included in the refinement: 1.101
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No