Information card for entry 1553514

Structure parameters

• Formula: C24 H20 O2 S
• Calculated formula: C24 H20 O2 S
• SMILES: S(=O)(=O)(c1c2ccccc2c(cc1c1ccccc1)C)c1ccc(cc1)C
• Title of publication: Sulfonyl radical-enabled 6-endo-trig cyclization for regiospecific synthesis of unsymmetrical diaryl sulfones
• Authors of publication: Fu, Rong; Hao, Wen-Juan; Wu, Ya-Nan; Wang, Nan-Nan; Tu, Shu-Jiang; Li, Guigen; Jiang, Bo
• Journal of publication: Organic Chemistry Frontiers
• Year of publication: 2016
• Journal volume: 3
• Journal issue: 11
• Pages of publication: 1452
• a: 9.2961 ± 0.0002 Å
• b: 10.1519 ± 0.0002 Å
• c: 20.823 ± 0.0005 Å
• α: 90°
• β: 102.267 ± 0.001°
• γ: 90°
• Cell volume: 1920.26 ± 0.07 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0569
• Residual factor for significantly intense reflections: 0.0445
• Weighted residual factors for significantly intense reflections: 0.1197
• Weighted residual factors for all reflections included in the refinement: 0.1306
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No