Information card for entry 7158416

Structure parameters

• Formula: C27 H26 N2 O6
• Calculated formula: C27 H26 N2 O6
• SMILES: O=C(OC)Nc1c(c2c3n(c4ccccc4c3cc(c2C(=O)OCC)C(=O)OCC)C)cccc1
• Title of publication: Yb(OTf)₃ catalyzed [1,3]-rearrangement of 3-alkenyl oxindoles.
• Authors of publication: Wu, Chaofei; Wan, Junlin; Song, Chao; He, Lingchen; Liu, Hongxin; Li, Xinhua; Li, Juan; Hu, Xin-Gen; Xiao, Hong-Ping; Jiang, Jun
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2021
• Journal volume: 20
• Journal issue: 1
• Pages of publication: 122 - 126
• a: 9.3272 ± 0.0008 Å
• b: 13.2464 ± 0.0012 Å
• c: 18.7695 ± 0.0016 Å
• α: 90°
• β: 95.372 ± 0.001°
• γ: 90°
• Cell volume: 2308.8 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0423
• Residual factor for significantly intense reflections: 0.0353
• Weighted residual factors for significantly intense reflections: 0.1019
• Weighted residual factors for all reflections included in the refinement: 0.1066
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No