Information card for entry 4034271

Structure parameters

• Formula: C26 H24 Cl N O3 S
• Calculated formula: C26 H24 Cl N O3 S
• SMILES: S(=O)(=O)(N1O[C@@H]([C@@H]2[C@H]1CCC=C2c1ccc(Cl)cc1)c1ccccc1)c1ccc(cc1)C.S(=O)(=O)(N1O[C@H]([C@H]2[C@@H]1CCC=C2c1ccc(Cl)cc1)c1ccccc1)c1ccc(cc1)C
• Title of publication: Lewis Acids Promoted 3 + 2 Cycloaddition of Oxaziridines and Cyclic Allylic Alcohols through Carbonyl Imine Intermediates.
• Authors of publication: Zhao, Erbao; Zhou, Feilong; Zhao, Yujun
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2019
• Journal volume: 84
• Journal issue: 7
• Pages of publication: 4282 - 4293
• a: 8.2865 ± 0.0019 Å
• b: 10.144 ± 0.003 Å
• c: 15.586 ± 0.004 Å
• α: 77.546 ± 0.006°
• β: 84.113 ± 0.006°
• γ: 77.165 ± 0.006°
• Cell volume: 1245.3 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0953
• Residual factor for significantly intense reflections: 0.0556
• Weighted residual factors for significantly intense reflections: 0.134
• Weighted residual factors for all reflections included in the refinement: 0.1567
• Goodness-of-fit parameter for all reflections included in the refinement: 0.982
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No