Information card for entry 7153121

Structure parameters

• Formula: C23 H19 N O3
• Calculated formula: C23 H19 N O3
• SMILES: O=C1Nc2c(C1(c1ccc(OC)cc1)CC(=O)c1ccccc1)cccc2
• Title of publication: Acid-catalyzed reactions of 3-hydroxy-2-oxindoles with electron-rich substrates: synthesis of 2-oxindoles with all-carbon quaternary center.
• Authors of publication: Kinthada, Lakshmana K.; Ghosh, Santanu; De, Subhadip; Bhunia, Subhajit; Dey, Dhananjay; Bisai, Alakesh
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2013
• Journal volume: 11
• Journal issue: 40
• Pages of publication: 6984 - 6993
• a: 11.245 ± 0.002 Å
• b: 12.063 ± 0.003 Å
• c: 13.951 ± 0.003 Å
• α: 90°
• β: 97.496 ± 0.01°
• γ: 90°
• Cell volume: 1876.3 ± 0.7 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1416
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for significantly intense reflections: 0.0997
• Weighted residual factors for all reflections included in the refinement: 0.1303
• Goodness-of-fit parameter for all reflections included in the refinement: 0.839
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No