Information card for entry 7131693

Structure parameters

• Common name: Isatin
• Chemical name: 3J
• Formula: C16 H13 N O2
• Calculated formula: C16 H13 N O2
• SMILES: O=C1c2c(N(Cc3ccccc3)C1=O)c(ccc2)C
• Title of publication: Visible-light driven acetoxylation and dioxygenation of indoles <i>via</i> electron donor-acceptor complexes.
• Authors of publication: Paul, Aditya; Sengupta, Arunava; Yadav, Somnath
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2023
• Journal volume: 59
• Journal issue: 48
• Pages of publication: 7455 - 7458
• a: 7.5072 ± 0.0008 Å
• b: 23.008 ± 0.003 Å
• c: 7.4733 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1290.8 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0592
• Residual factor for significantly intense reflections: 0.0359
• Weighted residual factors for significantly intense reflections: 0.0657
• Weighted residual factors for all reflections included in the refinement: 0.0731
• Goodness-of-fit parameter for all reflections included in the refinement: 0.975
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No