Information card for entry 7159190

Structure parameters

• Formula: C28 H26 Cl3 F O9 S
• Calculated formula: C28 H26 Cl3 F O9 S
• Title of publication: One-pot synthesis of sulfonyl dibenzosuberdiones <i>via</i> In(OTf)₃-promoted double Friedel-Crafts reactions of oxygenated arylacetic acids with β-arylvinyl sulfones.
• Authors of publication: Chang, Meng-Yang; Lin, Chun-Yi
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2023
• Journal volume: 21
• Journal issue: 11
• Pages of publication: 2405 - 2416
• a: 8.4568 ± 0.0002 Å
• b: 10.0048 ± 0.0002 Å
• c: 18.1713 ± 0.0004 Å
• α: 79.068 ± 0.002°
• β: 81.726 ± 0.002°
• γ: 72.665 ± 0.002°
• Cell volume: 1434.7 ± 0.06 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 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: 0.0644
• Residual factor for significantly intense reflections: 0.0592
• Weighted residual factors for significantly intense reflections: 0.1747
• Weighted residual factors for all reflections included in the refinement: 0.1797
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No