Information card for entry 7131694

Structure parameters

• Common name: 3-acetoxy-indole
• Chemical name: 2K
• Formula: C17 H14 Br N O2
• Calculated formula: C17 H14 Br N O2
• 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: 9.6226 ± 0.0008 Å
• b: 17.3895 ± 0.001 Å
• c: 9.3029 ± 0.0007 Å
• α: 90°
• β: 106.767 ± 0.009°
• γ: 90°
• Cell volume: 1490.5 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.06
• Residual factor for significantly intense reflections: 0.0382
• Weighted residual factors for significantly intense reflections: 0.0976
• Weighted residual factors for all reflections included in the refinement: 0.1086
• Goodness-of-fit parameter for all reflections included in the refinement: 1.117
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No