Information card for entry 4118873

Structure parameters

• Formula: C22 H38 O3 Si2
• Calculated formula: C22 H38 O3 Si2
• SMILES: [C@@](c1ccccc1)([C@@H](CC#CCO)C)(O[Si](C(C)(C)C)(C)C)O[Si](C)(C)C
• Title of publication: Rhodium-Catalyzed Enantioselective Vinylogous Addition of Enol Ethers to Vinyldiazoacetates
• Authors of publication: Austin G. Smith; Huw M. L. Davies
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2012
• Journal volume: 134
• Pages of publication: 18241 - 18244
• a: 9.0651 ± 0.0002 Å
• b: 20.1439 ± 0.0004 Å
• c: 27.5076 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5023.07 ± 0.17 ų
• Cell temperature: 173.2 K
• Ambient diffraction temperature: 173.2 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: 0.0312
• Residual factor for significantly intense reflections: 0.0301
• Weighted residual factors for significantly intense reflections: 0.0762
• Weighted residual factors for all reflections included in the refinement: 0.077
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No