Information card for entry 4121368

Structure parameters

• Formula: C22 H23 N O2 S
• Calculated formula: C22 H23 N O2 S
• SMILES: S(=O)(=O)(N1[C@@](C1)(c1cc2ccccc2cc1)C)c1c(cc(cc1C)C)C
• Title of publication: Asymmetric Substitution at the Tetrasubstituted Chiral Carbon: Catalytic Ring-Opening Alkylation of Racemic 2,2-Disubstituted Aziridines with 3-Substituted Oxindoles
• Authors of publication: Kohsuke Ohmatsu; Yuichiro Ando; Takashi Ooi
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2013
• Journal volume: 135
• Pages of publication: 18706 - 18709
• a: 7.9259 ± 0.0011 Å
• b: 7.9259 ± 0.0011 Å
• c: 60.915 ± 0.018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3826.7 ± 1.4 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• Space group number: 96
• Hermann-Mauguin space group symbol: P 43 21 2
• Hall space group symbol: P 4nw 2abw
• Residual factor for all reflections: 0.1136
• Residual factor for significantly intense reflections: 0.1119
• Weighted residual factors for significantly intense reflections: 0.234
• Weighted residual factors for all reflections included in the refinement: 0.2349
• Goodness-of-fit parameter for all reflections included in the refinement: 1.334
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No