Information card for entry 4021658

Structure parameters

• Formula: C30 H36 O4 S Se Si
• Calculated formula: C30 H36 O4 S Se Si
• SMILES: [Se](C[C@@H]1[C@@H]([C@@H]([Si](C)(C)c2ccccc2)[C@@H](C1)C(=O)OC)CS(=O)(=O)c1ccc(cc1)C)c1ccccc1.[Se](C[C@H]1[C@H]([C@H]([Si](C)(C)c2ccccc2)[C@H](C1)C(=O)OC)CS(=O)(=O)c1ccc(cc1)C)c1ccccc1
• Title of publication: Radical-Mediated 5-Exo-Trig Cyclizations of 3-Silylhepta-1,6-dienes
• Authors of publication: Philippe James; Kurt Schenk; Yannick Landais
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2006
• Journal volume: 71
• Pages of publication: 3630 - 3633
• a: 28.734 ± 0.005 Å
• b: 9.253 ± 0.005 Å
• c: 25.67 ± 0.005 Å
• α: 90 ± 0.005°
• β: 119.869 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 5918 ± 4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1548
• Residual factor for significantly intense reflections: 0.1419
• Weighted residual factors for significantly intense reflections: 0.4052
• Weighted residual factors for all reflections included in the refinement: 0.4093
• Goodness-of-fit parameter for all reflections included in the refinement: 3.204
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No