Information card for entry 1540518

Structure parameters

• Formula: C38 H35 N O Si
• Calculated formula: C38 H35 N O Si
• SMILES: [Si@@]1(c2c(n(c(=O)c(c2c2c1cccc2)CCC)c1ccccc1)c1ccccc1)(C(C)(C)C)C#Cc1ccccc1
• Title of publication: Rhodium-catalyzed asymmetric synthesis of silicon-stereogenic silicon-bridged arylpyridinones
• Authors of publication: Shintani, Ryo; Takano, Ryo; Nozaki, Kyoko
• Journal of publication: Chem. Sci.
• Year of publication: 2016
• Journal volume: 7
• Journal issue: 2
• Pages of publication: 1205
• a: 9.568 ± 0.004 Å
• b: 14.645 ± 0.004 Å
• c: 21.564 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3021.6 ± 1.7 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 5
• 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: 0.0735
• Residual factor for significantly intense reflections: 0.0721
• Weighted residual factors for significantly intense reflections: 0.1856
• Weighted residual factors for all reflections included in the refinement: 0.1881
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No