Information card for entry 4106981

Structure parameters

• Formula: C25 H27 B O3 Si
• Calculated formula: C25 H27 B O3 Si
• SMILES: [Si@@]12([C@@]([C@@H](CCC2)c2ccccc2)(c2ccccc2C1)B(O)O)c1ccc(OC)cc1.[Si@]12([C@]([C@H](CCC2)c2ccccc2)(c2ccccc2C1)B(O)O)c1ccc(OC)cc1
• Title of publication: Palladium-Catalyzed Enantioselective Desymmetrization of Silacyclobutanes: Construction of Silacycles Possessing a Tetraorganosilicon Stereocenter
• Authors of publication: Ryo Shintani; Kohei Moriya; Tamio Hayashi
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2011
• Journal volume: 133
• Pages of publication: 16440 - 16443
• a: 8.60096 ± 0.00017 Å
• b: 9.3243 ± 0.0002 Å
• c: 14.184 ± 0.0003 Å
• α: 81.4897 ± 0.0015°
• β: 72.9482 ± 0.0013°
• γ: 77.9686 ± 0.0013°
• Cell volume: 1059.03 ± 0.04 ų
• Cell temperature: 93.1 K
• Ambient diffraction temperature: 93 ± 1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0656
• Weighted residual factors for all reflections included in the refinement: 0.0968
• Goodness-of-fit parameter for all reflections included in the refinement: 0.946
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No