Information card for entry 1504781

Structure parameters

• Chemical name: (6aR,12aS,12bR)-5-(tert-Butyldimethylsilyloxy)-1,2,3,4,6,6a- hexahydrotetraphene-7,12(12aH,12bH)-dione
• Formula: C24 H32 O3 Si
• Calculated formula: C24 H32 O3 Si
• Title of publication: Highly enantioselective [4 + 2] cycloaddition reactions catalyzed by a chiral N-methyl-oxazaborolidinium cation.
• Authors of publication: Canales, Eda; Corey, E. J.
• Journal of publication: Organic letters
• Year of publication: 2008
• Journal volume: 10
• Journal issue: 15
• Pages of publication: 3271 - 3273
• a: 10.896 ± 0.0003 Å
• b: 8.1258 ± 0.0002 Å
• c: 25.6367 ± 0.0008 Å
• α: 90°
• β: 94.007 ± 0.002°
• γ: 90°
• Cell volume: 2264.29 ± 0.11 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 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 all reflections: 0.047
• Residual factor for significantly intense reflections: 0.0372
• Weighted residual factors for significantly intense reflections: 0.0865
• Weighted residual factors for all reflections included in the refinement: 0.0921
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No