Information card for entry 7120831

Structure parameters

• Formula: C24 H22 N2 O6 S
• Calculated formula: C24 H22 N2 O6 S
• SMILES: S(=O)(=O)(c1ccc(N(=O)=O)cc1)N1C(=O)[C@](c2cc(OC)ccc12)(C)[C@H](C)c1ccccc1
• Title of publication: Diastereo- and enantioselective phase-transfer alkylation of 3-substituted oxindoles with racemic secondary alkyl halides
• Authors of publication: Ohmatsu, Kohsuke; Furukawa, Yukino; Kiyokawa, Mari; Ooi, Takashi
• Journal of publication: Chem. Commun.
• Year of publication: 2017
• a: 12.8 ± 0.003 Å
• b: 7.0766 ± 0.0013 Å
• c: 13.621 ± 0.003 Å
• α: 90°
• β: 116.294 ± 0.003°
• γ: 90°
• Cell volume: 1106.1 ± 0.4 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.038
• Residual factor for significantly intense reflections: 0.0287
• Weighted residual factors for significantly intense reflections: 0.0627
• Weighted residual factors for all reflections included in the refinement: 0.065
• Goodness-of-fit parameter for all reflections included in the refinement: 0.926
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No