Information card for entry 7160502

Structure parameters

• Formula: C10.8 H6.8 F1.2 N0.8 O3.2 S0.4
• Calculated formula: C10.8 H6.8 F1.2 N0.8 O3.2 S0.4
• Title of publication: K₂CO₃/TFAA-activated diarylation of α-sulfonyl <i>o</i>-hydroxyacetophenones with <i>o</i>-nitroaryl disulfides to construct sulfonyl bis-<i>o</i>-nitroaryl acetophenones.
• Authors of publication: Chang, Meng-Yang; Hsueh, Nai-Chen
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2025
• Journal volume: 23
• Journal issue: 19
• Pages of publication: 4751 - 4757
• a: 8.3007 ± 0.0001 Å
• b: 9.9272 ± 0.0001 Å
• c: 16.426 ± 0.0002 Å
• α: 104.029 ± 0.001°
• β: 91.002 ± 0.001°
• γ: 107.675 ± 0.001°
• Cell volume: 1245.1 ± 0.03 ų
• Cell temperature: 135 ± 2 K
• Ambient diffraction temperature: 135 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0564
• Residual factor for significantly intense reflections: 0.0493
• Weighted residual factors for significantly intense reflections: 0.1263
• Weighted residual factors for all reflections included in the refinement: 0.1309
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No