Information card for entry 4037496

Structure parameters

• Formula: C26 H30 N4 O4 S
• Calculated formula: C26 H30 N4 O4 S
• SMILES: s1cc([C@H]([C@]2(NC(=O)OC(C)(C)C)C(=O)N(C)c3c2cccc3)C(=O)c2nccn2C(C)C)cc1
• Title of publication: Asymmetric Construction of 3,3-Disubstituted Oxindoles Bearing Vicinal Quaternary-Tertiary Carbon Stereocenters Catalyzed by a Chiral-at-Rhodium Complex.
• Authors of publication: Lin, Huihua; Zhou, Zijun; Cai, Jun; Han, Bowen; Gong, Lei; Meggers, Eric
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2017
• Journal volume: 82
• Journal issue: 12
• Pages of publication: 6457 - 6467
• a: 10.2517 ± 0.0003 Å
• b: 14.6838 ± 0.0004 Å
• c: 17.6105 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2650.98 ± 0.13 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0331
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for significantly intense reflections: 0.0877
• Weighted residual factors for all reflections included in the refinement: 0.0889
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No