Information card for entry 7118270

Structure parameters

• Formula: C18 H32 O3 Si
• Calculated formula: C18 H32 O3 Si
• SMILES: [Si](OC1=C(C)CC[C@H]1[C@]1(CC[C@@H](O)C1=O)C)(C(C)(C)C)(C)C.[Si](OC1=C(C)CC[C@@H]1[C@@]1(CC[C@H](O)C1=O)C)(C(C)(C)C)(C)C
• Title of publication: An expedient synthesis of functionalized 1,4-diketone-derived compounds via silyloxyallyl cation intermediates.
• Authors of publication: Stepherson, Jacob R.; Fronczek, Frank R.; Kartika, Rendy
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 11
• Pages of publication: 2300 - 2303
• a: 29.017 ± 0.004 Å
• b: 11.4978 ± 0.0017 Å
• c: 12.6967 ± 0.0016 Å
• α: 90°
• β: 111.472 ± 0.008°
• γ: 90°
• Cell volume: 3942 ± 1 ų
• Cell temperature: 90 ± 0.5 K
• Ambient diffraction temperature: 90 ± 0.5 K
• Number of distinct elements: 4
• 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: 0.1345
• Residual factor for significantly intense reflections: 0.0686
• Weighted residual factors for significantly intense reflections: 0.1192
• Weighted residual factors for all reflections included in the refinement: 0.1452
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No