Information card for entry 7105669

Structure parameters

• Common name: (R*)-3-Bromo-5-((S*)-1-cyclohexyl-2-(1,3-dioxolan-2- yl)ethyl)furan-2(5H)-one
• Chemical name: (R*)-3-Bromo-5-((S*)-1-cyclohexyl-2-(1,3-dioxolan-2-yl)ethyl)furan-2(5H)-one
• Formula: C15 H21 Br O4
• Calculated formula: C15 H21 Br O4
• SMILES: BrC1=C[C@H](OC1=O)[C@@H](CC1OCCO1)C1CCCCC1.BrC1=C[C@@H](OC1=O)[C@H](CC1OCCO1)C1CCCCC1
• 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: 24.402 ± 0.003 Å
• b: 6.4509 ± 0.0007 Å
• c: 20.012 ± 0.002 Å
• α: 90°
• β: 107.156 ± 0.001°
• γ: 90°
• Cell volume: 3010 ± 0.6 ų
• Cell temperature: 90 K
• Ambient diffraction temperature: 90 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: 0.0383
• Residual factor for significantly intense reflections: 0.0277
• Weighted residual factors for significantly intense reflections: 0.0658
• Weighted residual factors for all reflections included in the refinement: 0.07
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No