Information card for entry 7108610

Structure parameters

• Formula: C18 H18 O Si
• Calculated formula: C18 H18 O Si
• SMILES: [Si@@H](c1ccccc1OC)(c1c2c(ccc1)cccc2)C
• Title of publication: Synthesis of optically active tertiary silanes via Pd-catalyzed enantioselective arylation of secondary silanes
• Authors of publication: Yu Kurihara; Michihiro Nishikawa; Yoshinori Yamanoi; Hiroshi Nishihara
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 11564
• a: 7.975 ± 0.003 Å
• b: 8.53 ± 0.003 Å
• c: 11.592 ± 0.005 Å
• α: 90°
• β: 108.387 ± 0.004°
• γ: 90°
• Cell volume: 748.3 ± 0.5 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 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 significantly intense reflections: 0.0277
• Weighted residual factors for all reflections included in the refinement: 0.0719
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No