Information card for entry 7160286

Structure parameters

• Formula: C22 H21 F N2 O5 S
• Calculated formula: C22 H21 F N2 O5 S
• Title of publication: Electrochemical synthesis of γ-carbolinones <i>via</i> sulfonylation-triggered cyclization of indole-3-carboxamides.
• Authors of publication: Luo, Dan; Wang, Qian; Liu, Jiang; Mei, Haibo; Han, Jianlin
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2025
• Journal volume: 23
• Journal issue: 6
• Pages of publication: 1309 - 1313
• a: 10.0126 ± 0.0002 Å
• b: 10.5943 ± 0.0002 Å
• c: 19.0839 ± 0.0003 Å
• α: 90°
• β: 95.77 ± 0.001°
• γ: 90°
• Cell volume: 2014.1 ± 0.06 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 6
• 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: 0.0331
• Residual factor for significantly intense reflections: 0.0309
• Weighted residual factors for significantly intense reflections: 0.0843
• Weighted residual factors for all reflections included in the refinement: 0.086
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No