Information card for entry 7245522

Structure parameters

• Chemical name: zk-2
• Formula: C21 H18 Br N O3
• Calculated formula: C21 H18 Br N O3
• SMILES: Brc1ccc([C@H]([C@]2(C(=O)N(c3c2cccc3)C)C(=O)OCC)C#C)cc1
• Title of publication: Stereoselective synthesis of C3-tetrasubstituted oxindoles via copper catalyzed asymmetric propargylation
• Authors of publication: Wang, Jiao-Mei; Zhao, Yu; Yao, Chang-Sheng; Zhang, Kai
• Journal of publication: RSC Advances
• Year of publication: 2022
• Journal volume: 12
• Journal issue: 41
• Pages of publication: 26727 - 26732
• a: 8.888 ± 0.003 Å
• b: 13.957 ± 0.004 Å
• c: 15.546 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1928.5 ± 1 ų
• Cell temperature: 296.15 K
• Ambient diffraction temperature: 296.15 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: 0.0545
• Residual factor for significantly intense reflections: 0.0371
• Weighted residual factors for significantly intense reflections: 0.0882
• Weighted residual factors for all reflections included in the refinement: 0.0948
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No