Information card for entry 7153123

Structure parameters

• Formula: C24 H21 N3
• Calculated formula: C24 H21 N3
• SMILES: C(c1c(N)cccc1)C(c1c[nH]c2c1cccc2)c1c[nH]c2ccccc12
• 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: 6.7467 ± 0.0004 Å
• b: 12.811 ± 0.0007 Å
• c: 21.6174 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1868.43 ± 0.19 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 3
• 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: 0.155
• Residual factor for significantly intense reflections: 0.0706
• Weighted residual factors for significantly intense reflections: 0.154
• Weighted residual factors for all reflections included in the refinement: 0.1849
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No