Information card for entry 7104240

Structure parameters

• Formula: C21 H18 O3 S
• Calculated formula: C21 H18 O3 S
• SMILES: S(=O)(=O)(OC(=C\c1ccccc1)\c1ccccc1)c1ccc(cc1)C
• Title of publication: Gold-catalyzed addition of sulfonic acids to alkynes to form vinyl sulfonates.
• Authors of publication: Cui, Dong-Mei; Meng, Qian; Zheng, Jin-Zhou; Zhang, Chen
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2009
• Journal volume: 34
• Journal issue: 12
• Pages of publication: 1577 - 1579
• a: 19.8 ± 0.0007 Å
• b: 5.8289 ± 0.0002 Å
• c: 15.5228 ± 0.0007 Å
• α: 90°
• β: 97.2226 ± 0.0012°
• γ: 90°
• Cell volume: 1777.31 ± 0.12 ų
• Cell temperature: 296 ± 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 significantly intense reflections: 0.0352
• Weighted residual factors for all reflections included in the refinement: 0.1152
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No