Information card for entry 7154361

Structure parameters

• Formula: C29 H28 O5 S
• Calculated formula: C29 H28 O5 S
• SMILES: S1(=O)(=O)C=C([C@H]2[C@@](O)(C[C@@H]([C@@H]12)c1ccc(OC)cc1)/C=C/c1ccc(OC)cc1)c1ccccc1.S1(=O)(=O)C=C([C@@H]2[C@](O)(C[C@H]([C@H]12)c1ccc(OC)cc1)/C=C/c1ccc(OC)cc1)c1ccccc1
• 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: 7.3355 ± 0.0003 Å
• b: 27.2184 ± 0.0011 Å
• c: 12.3978 ± 0.0005 Å
• α: 90°
• β: 106.559 ± 0.0011°
• γ: 90°
• Cell volume: 2372.69 ± 0.17 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: 0.0421
• Residual factor for significantly intense reflections: 0.0352
• Weighted residual factors for significantly intense reflections: 0.0887
• Weighted residual factors for all reflections included in the refinement: 0.0932
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No