Information card for entry 4026225

Structure parameters

• Formula: C22 H24 O6 S
• Calculated formula: C32 H38 O10 S
• SMILES: S(=O)(=O)(/C=C/[C@H]1O[C@@H]2OC(O[C@@H]2[C@H]1OCc1ccccc1)(C)C)/C=C/[C@H]1O[C@@H]2OC(O[C@@H]2[C@H]1OCc1ccccc1)(C)C
• Title of publication: A General Route to Mono- and Disubstituted Divinyl Sulfones: Acyclic Michael Acceptors for the Synthesis of Polyfunctionalized Cyclic Sulfones
• Authors of publication: Tarun Kumar Pal; Santu Dey; Tanmaya Pathak
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2011
• Journal volume: 76
• Pages of publication: 3034 - 3041
• a: 12.401 Å
• b: 9.151 Å
• c: 14.292 Å
• α: 90°
• β: 101.03°
• γ: 90°
• Cell volume: 1591.92 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1265
• Residual factor for significantly intense reflections: 0.0496
• Weighted residual factors for significantly intense reflections: 0.1301
• Weighted residual factors for all reflections included in the refinement: 0.1509
• Goodness-of-fit parameter for all reflections included in the refinement: 1.197
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No