Information card for entry 7227992

Structure parameters

• Chemical name: 3,3-disubstituted oxindole
• Formula: C27 H22 Br N3 O4 S
• Calculated formula: C27 H22 Br N3 O4 S
• SMILES: N1C(=O)C(c2ccccc12)(c1c[nH]c2ccc(Br)cc12)C1=C(NOC1=O)c1ccccc1.CS(C)=O
• Title of publication: An efficient and eco-friendly synthesis of 2-pyridones and functionalized azaxanthone frameworks via indium triflate catalyzed domino reaction
• Authors of publication: Ramakrishna, Seeram; nataraj, poomathi; Perumal, Paramasivan Thirumalai
• Journal of publication: Green Chem.
• Year of publication: 2017
• a: 14.158 ± 0.003 Å
• b: 14.747 ± 0.003 Å
• c: 23.048 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4812 ± 2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1138
• Residual factor for significantly intense reflections: 0.0904
• Weighted residual factors for significantly intense reflections: 0.2816
• Weighted residual factors for all reflections included in the refinement: 0.3003
• Goodness-of-fit parameter for all reflections included in the refinement: 1.123
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No