Information card for entry 7160953

Structure parameters

• Formula: C25 H18 O3 S
• Calculated formula: C25 H18 O3 S
• Title of publication: Arylsulfone-driven divergence in base-mediated [3 + 3] benzannulation reactions of aurones: facile synthesis of substituted dibenzofurans.
• Authors of publication: Husni P, Farooqe; Andrews P, Alex; Menon, Rajeev S.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2026
• Journal volume: 24
• Journal issue: 6
• Pages of publication: 1352 - 1357
• a: 10.5477 ± 0.0004 Å
• b: 13.6992 ± 0.0006 Å
• c: 13.9449 ± 0.0006 Å
• α: 102.714 ± 0.002°
• β: 96.341 ± 0.001°
• γ: 90.428 ± 0.001°
• Cell volume: 1952.49 ± 0.14 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 ± 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: 0.0451
• Residual factor for significantly intense reflections: 0.0385
• Weighted residual factors for significantly intense reflections: 0.1086
• Weighted residual factors for all reflections included in the refinement: 0.1167
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No