Information card for entry 7159187

Structure parameters

• Formula: C29 H29 Cl3 O9 S
• Calculated formula: C29 H29 Cl3 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: 8.8838 ± 0.0003 Å
• b: 10.0122 ± 0.0003 Å
• c: 18.2465 ± 0.0007 Å
• α: 79.86 ± 0.003°
• β: 82.812 ± 0.003°
• γ: 68.624 ± 0.003°
• Cell volume: 1484.42 ± 0.09 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0505
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for significantly intense reflections: 0.1204
• Weighted residual factors for all reflections included in the refinement: 0.1248
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No