Information card for entry 7159185

Structure parameters

• Formula: C27 H26 O9 S
• Calculated formula: C27 H26 O9 S
• SMILES: S(=O)(=O)(CC1c2c(C(=O)C(=O)c3c1cc(OC)c(OC)c3)cc(OC)c(OC)c2)c1ccc(OC)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: 9.0321 ± 0.0003 Å
• b: 11.3249 ± 0.0004 Å
• c: 13.401 ± 0.0003 Å
• α: 104.302 ± 0.002°
• β: 90.43 ± 0.002°
• γ: 112.768 ± 0.003°
• Cell volume: 1216.59 ± 0.07 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.051
• Residual factor for significantly intense reflections: 0.0442
• Weighted residual factors for significantly intense reflections: 0.1211
• Weighted residual factors for all reflections included in the refinement: 0.1256
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No