Information card for entry 7159189

Structure parameters

• Formula: C28 H27 F O10 S
• Calculated formula: C28 H27 F O10 S
• SMILES: S(=O)(=O)(CC1c2c(C(=O)C(=O)c3c1c(OC)c(OC)c(OC)c3)c(OC)c(OC)c(OC)c2)c1ccc(F)cc1
• 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: 8.9241 ± 0.0003 Å
• b: 19.544 ± 0.0006 Å
• c: 14.8371 ± 0.0004 Å
• α: 90°
• β: 99.093 ± 0.002°
• γ: 90°
• Cell volume: 2555.26 ± 0.14 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 5
• 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: 0.0439
• Residual factor for significantly intense reflections: 0.0385
• Weighted residual factors for significantly intense reflections: 0.1015
• Weighted residual factors for all reflections included in the refinement: 0.1043
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No