Information card for entry 7154363

Structure parameters

• Formula: C25 H26 O7 S
• Calculated formula: C25 H26 O7 S
• SMILES: S1(=O)(=O)CC(=CC21[C@H](CC(=O)C[C@@H]2c1ccc(OC)cc1)c1ccc(OC)cc1)C(=O)OC.S1(=O)(=O)CC(=CC21[C@@H](CC(=O)C[C@H]2c1ccc(OC)cc1)c1ccc(OC)cc1)C(=O)OC
• Title of publication: Diastereoselective tandem reactions of substituted 3-sulfolenes with bis-vinyl ketones leading to highly functionalized bicyclic and tricyclic frameworks.
• Authors of publication: Brant, Michael G.; Friedmann, Jordan N.; Bohlken, Connor G.; Oliver, Allen G.; Wulff, Jeremy E.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2015
• Journal volume: 13
• Journal issue: 15
• Pages of publication: 4581 - 4588
• a: 10.6137 ± 0.001 Å
• b: 15.5004 ± 0.0014 Å
• c: 13.2501 ± 0.0012 Å
• α: 90°
• β: 92.946 ± 0.003°
• γ: 90°
• Cell volume: 2177 ± 0.3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 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 all reflections: 0.0476
• Residual factor for significantly intense reflections: 0.0348
• Weighted residual factors for significantly intense reflections: 0.0816
• Weighted residual factors for all reflections included in the refinement: 0.0884
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No