Information card for entry 4132828

Structure parameters

• Formula: C17 H32 O4 Si
• Calculated formula: C17 H32 O4 Si
• SMILES: C1(=O)C[C@]([C@@H]1O[Si](CC)(CC)CC)(CC)C(=O)OC(C)(C)C
• Title of publication: Asymmetric Synthesis of Cyclobutanone via Lewis Acid Catalyzed Tandem Cyclopropanation/Semipinacol Rearrangement.
• Authors of publication: Shim, Su Yong; Choi, Yuna; Ryu, Do Hyun
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2018
• Journal volume: 140
• Journal issue: 36
• Pages of publication: 11184 - 11188
• a: 9.6162 ± 0.0003 Å
• b: 11.1763 ± 0.0004 Å
• c: 19.1286 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2055.82 ± 0.12 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 4
• 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: 0.0813
• Residual factor for significantly intense reflections: 0.0511
• Weighted residual factors for significantly intense reflections: 0.1123
• Weighted residual factors for all reflections included in the refinement: 0.1283
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No