Information card for entry 7151606

Structure parameters

• Chemical name: 4-(Di-tert-butyl-hydroxy-silanyloxy)-2-methyl-5-oxo-2,5-dihydro-furan- -2-carboxylic acid ethyl ester
• Formula: C16 H28 O6 Si
• Calculated formula: C16 H28 O6 Si
• Title of publication: Direct catalytic asymmetric aldol reactions of pyruvates: scope and mechanism.
• Authors of publication: Gathergood, Nicholas; Juhl, Karsten; Poulsen, Thomas B.; Thordrup, Karl; Jørgensen, Karl Anker
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2004
• Journal volume: 2
• Journal issue: 7
• Pages of publication: 1077 - 1085
• a: 12.626 ± 0.001 Å
• b: 14.332 ± 0.002 Å
• c: 20.971 ± 0.002 Å
• α: 90°
• β: 95.257 ± 0.002°
• γ: 90°
• Cell volume: 3778.9 ± 0.7 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for significantly intense reflections: 0.055
• Weighted residual factors for all reflections included in the refinement: 0.065
• Goodness-of-fit parameter for all reflections included in the refinement: 1.45
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No