Information card for entry 7061065

Structure parameters

• Formula: C29 H27 N O4
• Calculated formula: C29 H27 N O4
• SMILES: O(C1=C(C(=O)CC(C1)(C)C)C1(O)c2c(N(C1=O)Cc1ccccc1)cccc2)c1ccccc1
• Title of publication: One-pot synthesis of 3-substituted-3-hydroxyindolin-2-ones: three component coupling of N-protected isatin, aryne precursor and 1,3-cyclodione under metal-free conditions
• Authors of publication: Hazarika, Hemanta; Chutia, Kangkana; Das, Babulal; Gogoi, Pranjal
• Journal of publication: New Journal of Chemistry
• Year of publication: 2022
• Journal volume: 46
• Journal issue: 1
• Pages of publication: 86 - 96
• a: 13.578 ± 0.004 Å
• b: 11.198 ± 0.003 Å
• c: 15.831 ± 0.005 Å
• α: 90°
• β: 94.443 ± 0.004°
• γ: 90°
• Cell volume: 2399.8 ± 1.2 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0767
• Residual factor for significantly intense reflections: 0.0534
• Weighted residual factors for significantly intense reflections: 0.1358
• Weighted residual factors for all reflections included in the refinement: 0.1561
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No