Information card for entry 7155887

Structure parameters

• Formula: C26 H27 N3 O4 S
• Calculated formula: C26 H27 N3 O4 S
• SMILES: s1c([C@H]2C[C@](O)(N(C(=O)OC(C)(C)C)[C@]32C(=O)N(c2c3cccc2)C)c2ncccc2)ccc1
• Title of publication: Enantioselective Synthesis of Spiro-oxindole-based 3,4-Dihydropyrroles via a Michael/Cyclization Cascade of 3-Aminooxindoles with 2-Enoylpyridines
• Authors of publication: Cui, Baodong; Chen, Yu; Shan, Jing; Qin, Lei; Yuan, Changlun; Wang, Yi; Han, Wen-Yong; Wan, Nanwei; Chen, Yong-Zheng
• Journal of publication: Org. Biomol. Chem.
• Year of publication: 2017
• a: 9.3298 ± 0.0001 Å
• b: 9.3298 ± 0.0001 Å
• c: 25.5998 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1929.8 ± 0.03 ų
• Cell temperature: 290 ± 2 K
• Ambient diffraction temperature: 290 ± 2 K
• Number of distinct elements: 5
• Space group number: 145
• Hermann-Mauguin space group symbol: P 32
• Hall space group symbol: P 32
• Residual factor for all reflections: 0.0344
• Residual factor for significantly intense reflections: 0.0342
• Weighted residual factors for significantly intense reflections: 0.0916
• Weighted residual factors for all reflections included in the refinement: 0.0918
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No