Information card for entry 7160313

Structure parameters

• Formula: C18 H20 O3 S
• Calculated formula: C18 H20 O3 S
• Title of publication: Construction of diaryl oxacyclic sulfones <i>via</i> Bi(OTf)₃-catalyzed intramolecular cyclocondensation of 1,3-diaroylsulfones.
• Authors of publication: Chang, Meng-Yang; Lin, Chun-Yi
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2025
• Journal volume: 23
• Journal issue: 7
• Pages of publication: 1662 - 1672
• a: 10.4911 ± 0.0001 Å
• b: 17.9817 ± 0.0002 Å
• c: 17.813 ± 0.0002 Å
• α: 90°
• β: 102.399 ± 0.001°
• γ: 90°
• Cell volume: 3282.01 ± 0.06 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0548
• Residual factor for significantly intense reflections: 0.0475
• Weighted residual factors for significantly intense reflections: 0.1201
• Weighted residual factors for all reflections included in the refinement: 0.1248
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No