Information card for entry 4022221

Structure parameters

• Formula: C20 H23 N O4 S
• Calculated formula: C20 H23 N O4 S
• SMILES: S(=O)(=O)(N1[C@H](C(=O)OC(C)(C)C)[C@H]1c1ccccc1)c1ccc(C)cc1
• Title of publication: Enantioselective Aziridination Using Copper Complexes of Biaryl Schiff Bases
• Authors of publication: Kevin M. Gillespie; Christopher J. Sanders; Paul O'Shaughnessy; Ian Westmoreland; Christopher P. Thickitt; Peter Scott
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2002
• Journal volume: 67
• Pages of publication: 3450 - 3458
• a: 5.9093 ± 0.0006 Å
• b: 16.6299 ± 0.0016 Å
• c: 18.9066 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1858 ± 0.3 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 5
• 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: 0.0288
• Residual factor for significantly intense reflections: 0.0265
• Weighted residual factors for significantly intense reflections: 0.0711
• Weighted residual factors for all reflections included in the refinement: 0.0717
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No