Information card for entry 7160623

Structure parameters

• Formula: C16 H9 F O3
• Calculated formula: C16 H9 F O3
• Title of publication: Selenium dioxide-mediated oxidative annulation of sulfonyl <i>o</i>-hydroxyacetophenones with acetophenones. One-pot synthesis of aurone analogs.
• Authors of publication: Chang, Meng-Yang; Liu, Yu-Hsuan
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2025
• Journal volume: 23
• Journal issue: 29
• Pages of publication: 6986 - 6991
• a: 8.1097 ± 0.0002 Å
• b: 5.2299 ± 0.0001 Å
• c: 27.2462 ± 0.0005 Å
• α: 90°
• β: 91.43 ± 0.002°
• γ: 90°
• Cell volume: 1155.23 ± 0.04 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 4
• 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: 0.0368
• Residual factor for significantly intense reflections: 0.0327
• Weighted residual factors for significantly intense reflections: 0.0845
• Weighted residual factors for all reflections included in the refinement: 0.0876
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No