Information card for entry 1542993

Structure parameters

• Formula: C28 H40 O4 Si
• Calculated formula: C28 H40 O4 Si
• SMILES: [Si](O[C@H](CCCC)[C@H](CC(=O)C)C(=O)OCC)(c1ccccc1)(c1ccccc1)C(C)(C)C.[Si](O[C@@H](CCCC)[C@H](C(=O)OCC)CC(=O)C)(c1ccccc1)(c1ccccc1)C(C)(C)C
• Title of publication: Stereocontrolled (Me3Si)3SiH-Mediated Radical and Ionic Hydride Transfer in Synthesis of 2,3,5-Trisubstituted THF.
• Authors of publication: Grélaud, Simon; Desvergnes, Valérie; Landais, Yannick
• Journal of publication: Organic letters
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 7
• Pages of publication: 1542 - 1545
• a: 9.8904 ± 0.0002 Å
• b: 32.7758 ± 0.0006 Å
• c: 18.3035 ± 0.0013 Å
• α: 90°
• β: 95.879 ± 0.007°
• γ: 90°
• Cell volume: 5902.2 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0774
• Residual factor for significantly intense reflections: 0.0535
• Weighted residual factors for significantly intense reflections: 0.1472
• Weighted residual factors for all reflections included in the refinement: 0.1678
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No