Information card for entry 4028014

Structure parameters

• Chemical name: (S)-ethyl 2-hydroxy-5,5-dimethyl-6-((R)-5-oxo-2,5-dihydrofuran-2-yl) cyclohex-1-enecarboxylate
• Formula: C15 H20 O5
• Calculated formula: C15 H20 O5
• Title of publication: Catalytic Enantioselective Vinylogous Mukaiyama-Michael Addition of 2-Silyloxyfurans to Cyclic Unsaturated Oxo Esters
• Authors of publication: Xavier Jusseau; Pascal Retailleau; Laurent Chabaud; Catherine Guillou
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2013
• Journal volume: 78
• Pages of publication: 2289 - 2300
• a: 7.6937 ± 0.0004 Å
• b: 9.5654 ± 0.0006 Å
• c: 19.816 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1458.33 ± 0.15 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0492
• Residual factor for significantly intense reflections: 0.0444
• Weighted residual factors for significantly intense reflections: 0.1044
• Weighted residual factors for all reflections included in the refinement: 0.1107
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No