Information card for entry 7160310

Structure parameters

• Formula: C8 H6 O1.5 S0.5
• Calculated formula: C8 H6 O1.5 S0.5
• 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: 10.1345 ± 0.0003 Å
• b: 8.3361 ± 0.0003 Å
• c: 15.3383 ± 0.0004 Å
• α: 90°
• β: 93.54 ± 0.003°
• γ: 90°
• Cell volume: 1293.34 ± 0.07 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0361
• Residual factor for significantly intense reflections: 0.0338
• Weighted residual factors for significantly intense reflections: 0.0882
• Weighted residual factors for all reflections included in the refinement: 0.0897
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No