Information card for entry 7063265

Structure parameters

• Formula: C20 H12 Br N O3
• Calculated formula: C20 H12 Br N O3
• Title of publication: I2/DMSO-mediated substrate selective oxidation of tetrahydro indole-2,4-dione towards 4-hydroxy isatins and 5,6-dihydro-1H-indole-2,4-dione derivatives
• Authors of publication: Sinha, Goutam; Pramanik, Sayan; Jana, Debashis; Ghosh, Anirban; Mukhopadhyay, Chhanda
• Journal of publication: New Journal of Chemistry
• Year of publication: 2024
• Journal volume: 48
• Journal issue: 28
• Pages of publication: 12544 - 12552
• a: 16.47 ± 0.03 Å
• b: 15.27 ± 0.02 Å
• c: 6.904 ± 0.01 Å
• α: 90°
• β: 100.65 ± 0.07°
• γ: 90°
• Cell volume: 1706 ± 5 ų
• Cell temperature: 299 K
• Ambient diffraction temperature: 299 K
• Number of distinct elements: 5
• 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: 0.1277
• Residual factor for significantly intense reflections: 0.068
• Weighted residual factors for significantly intense reflections: 0.1914
• Weighted residual factors for all reflections included in the refinement: 0.2357
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0367
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No