Information card for entry 7160307

Structure parameters

• Formula: C10 H11 Br F N O2
• Calculated formula: C10 H11 Br F N O2
• Title of publication: Visible-light-induced aerobic oxidative cyclization of nitroarenes with triethylamine using an organophotocatalyst.
• Authors of publication: Zhou, Yazheng; He, Yutong; Huang, Huawen; Deng, Guo-Jun
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2025
• Journal volume: 23
• Journal issue: 6
• Pages of publication: 1338 - 1341
• a: 12.74 ± 0.003 Å
• b: 7.5412 ± 0.0012 Å
• c: 12.056 ± 0.004 Å
• α: 90°
• β: 109.42 ± 0.03°
• γ: 90°
• Cell volume: 1092.4 ± 0.5 ų
• Cell temperature: 292.99 ± 0.1 K
• Ambient diffraction temperature: 292.99 ± 0.1 K
• Number of distinct elements: 6
• 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: 0.1695
• Residual factor for significantly intense reflections: 0.0777
• Weighted residual factors for significantly intense reflections: 0.1738
• Weighted residual factors for all reflections included in the refinement: 0.2287
• Goodness-of-fit parameter for all reflections included in the refinement: 0.952
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No