Information card for entry 1553872

Structure parameters

• Formula: C30 H30 I N3 O5
• Calculated formula: C30 H30 I N3 O5
• SMILES: Ic1ccc2N(C(=O)[C@](NC(=O)OC(C)(C)C)(c2c1)[C@H](N=C(c1ccccc1)c1ccccc1)C(=O)OC)C
• Title of publication: A copper(i)-catalyzed asymmetric Mannich reaction of glycine Schiff bases with isatin-derived ketimines: enantioselective synthesis of 3-substituted 3-aminooxindoles
• Authors of publication: Zhu, Jing-Yan; Yang, Wu-Lin; Liu, Yang-Zi; Shang, Shao-Jing; Deng, Wei-Ping
• Journal of publication: Organic Chemistry Frontiers
• Year of publication: 2018
• Journal volume: 5
• Journal issue: 1
• Pages of publication: 70
• a: 12.1518 ± 0.0014 Å
• b: 12.3848 ± 0.0015 Å
• c: 19.412 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2921.5 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0383
• Residual factor for significantly intense reflections: 0.0336
• Weighted residual factors for significantly intense reflections: 0.0775
• Weighted residual factors for all reflections included in the refinement: 0.0799
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No