Information card for entry 4122991

Structure parameters

• Formula: C22 H26 N2 O2 S Si
• Calculated formula: C22 H26 N2 O2 S Si
• SMILES: S(=O)(=O)(N1Cc2ccccc2C([SiH](CC)CC)C1)c1c2ncccc2ccc1
• Title of publication: Boron-Catalyzed Silylative Reduction of Quinolines: Selective sp(3) C-Si Bond Formation.
• Authors of publication: Gandhamsetty, Narasimhulu; Joung, Seewon; Park, Sung-Woo; Park, Sehoon; Chang, Sukbok
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2014
• Pages of publication: 141120154130001
• a: 18.662 ± 0.015 Å
• b: 10.727 ± 0.009 Å
• c: 11.793 ± 0.01 Å
• α: 90°
• β: 119.34 ± 0.05°
• γ: 90°
• Cell volume: 2058 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0994
• Residual factor for significantly intense reflections: 0.0743
• Weighted residual factors for significantly intense reflections: 0.1586
• Weighted residual factors for all reflections included in the refinement: 0.1717
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No