Information card for entry 4026226

Structure parameters

• Formula: C24 H22 N O8 S
• Calculated formula: C25 H31 N O6 S
• SMILES: S1(=O)(=O)C[C@H](N(Cc2ccccc2)CC1)[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: 10.952 Å
• b: 11.122 Å
• c: 20.295 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2472.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1891
• Residual factor for significantly intense reflections: 0.0594
• Weighted residual factors for significantly intense reflections: 0.1053
• Weighted residual factors for all reflections included in the refinement: 0.1394
• Goodness-of-fit parameter for all reflections included in the refinement: 0.947
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No