Information card for entry 4133464

Structure parameters

• Common name: 3ag
• Formula: C34 H43 Br N2 O4 S Si
• Calculated formula: C34 H43 Br N2 O4 S Si
• SMILES: Brc1cc2c([C@H]3O[C@@H](c4ccc(OC)cc4)CN3S(=O)(=O)c3ccc(cc3)C)cn([Si](C(C)C)(C(C)C)C(C)C)c2cc1.Brc1cc2c([C@@H]3O[C@H](c4ccc(OC)cc4)CN3S(=O)(=O)c3ccc(cc3)C)cn([Si](C(C)C)(C(C)C)C(C)C)c2cc1
• Title of publication: Lewis Acid Catalyzed Dynamic Kinetic Asymmetric Transformation of Racemic N-Sulfonylaziridines.
• Authors of publication: Yang, Pei-Jun; Qi, Ling; Liu, Zhen; Yang, Gaosheng; Chai, Zhuo
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2018
• Journal volume: 140
• Journal issue: 49
• Pages of publication: 17211 - 17217
• a: 11.8977 ± 0.0008 Å
• b: 12.077 ± 0.0008 Å
• c: 12.1695 ± 0.0008 Å
• α: 76.118 ± 0.001°
• β: 89.803 ± 0.001°
• γ: 84.021 ± 0.001°
• Cell volume: 1687.89 ± 0.19 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0627
• Residual factor for significantly intense reflections: 0.0389
• Weighted residual factors for significantly intense reflections: 0.0825
• Weighted residual factors for all reflections included in the refinement: 0.0918
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No