Information card for entry 2228329

Structure parameters

• Chemical name: (2<i>SR</i>,3<i>SR</i>)-Isopropyl 3-{[dimethyl(phenyl)silyl]methyl}-2-hydroxy-2-vinylpent-4-enoate
• Formula: C19 H28 O3 Si
• Calculated formula: C19 H28 O3 Si
• SMILES: [Si](c1ccccc1)(C[C@@H]([C@](O)(C(=O)OC(C)C)C=C)C=C)(C)C.[Si](c1ccccc1)(C[C@H]([C@@](O)(C(=O)OC(C)C)C=C)C=C)(C)C
• Title of publication: (2<i>SR</i>,3<i>SR</i>)-Isopropyl 3-{[dimethyl(phenyl)silyl]methyl}-2-hydroxy-2-vinylpent-4-enoate
• Authors of publication: Nelson, Bjoern; Schürmann, Markus; Preut, Hans; Hiersemann, Martin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 12
• Pages of publication: o3102
• a: 18.4311 ± 0.0015 Å
• b: 12.0676 ± 0.001 Å
• c: 8.8508 ± 0.0006 Å
• α: 90°
• β: 95.366 ± 0.007°
• γ: 90°
• Cell volume: 1960 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0593
• Residual factor for significantly intense reflections: 0.0398
• Weighted residual factors for significantly intense reflections: 0.0429
• Weighted residual factors for all reflections included in the refinement: 0.0442
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes