Information card for entry 7105668

Structure parameters

• Common name: (R*)-5-((S*)-1-(1,3-Dioxolan-2-yl)-3-methylbutan-2-yl)-3- bromofuran-2(5H)-one
• Chemical name: (R*)-5-((S*)-1-(1,3-Dioxolan-2-yl)-3-methylbutan-2-yl)-3-bromofuran-2(5H)-one
• Formula: C12 H17 Br O4
• Calculated formula: C12 H17 Br O4
• SMILES: BrC1=C[C@@H]([C@@H](CC2OCCO2)C(C)C)OC1=O.BrC1=C[C@H]([C@H](CC2OCCO2)C(C)C)OC1=O
• Title of publication: 1,4-Addition of silicon dienoates to α,Î^2^-unsaturated aldehydes catalyzed by in situ-generated silicon Lewis acid
• Authors of publication: HikaruYanai; Arata Takahashi; Takeo Taguchi
• Journal of publication: Chem.Commun.
• Year of publication: 2010
• Journal volume: 46
• Pages of publication: 8728
• a: 9.858 ± 0.0019 Å
• b: 15.388 ± 0.003 Å
• c: 9.3551 ± 0.0018 Å
• α: 90°
• β: 116.254 ± 0.002°
• γ: 90°
• Cell volume: 1272.7 ± 0.4 ų
• Cell temperature: 90 K
• Ambient diffraction temperature: 90 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: 0.0338
• Residual factor for significantly intense reflections: 0.0266
• Weighted residual factors for significantly intense reflections: 0.0664
• Weighted residual factors for all reflections included in the refinement: 0.0695
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No