Information card for entry 1547883

Structure parameters

• Formula: C20 H23 N O6
• Calculated formula: C20 H23 N O6
• SMILES: c1ccccc1/C(=C1\C=C(C(=O)OC)N(C1)C(=O)OC(C)(C)C)C(=O)OC
• Title of publication: Gold-catalyzed stereoselective dearomatization/metal-free aerobic oxidation: access to 3-substituted indolines/oxindoles.
• Authors of publication: Liu, Kai; Xu, Guangyang; Sun, Jiangtao
• Journal of publication: Chemical science
• Year of publication: 2018
• Journal volume: 9
• Journal issue: 3
• Pages of publication: 634 - 639
• a: 5.9171 ± 0.0004 Å
• b: 24.525 ± 0.002 Å
• c: 13.126 ± 0.001 Å
• α: 90°
• β: 95.432 ± 0.002°
• γ: 90°
• Cell volume: 1896.3 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.075
• Residual factor for significantly intense reflections: 0.0502
• Weighted residual factors for significantly intense reflections: 0.1055
• Weighted residual factors for all reflections included in the refinement: 0.1143
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No