Information card for entry 7152224

Structure parameters

• Formula: C23 H21 N Si
• Calculated formula: C23 H21 N Si
• SMILES: c12ccccc1c(c1n2c2ccccc2C[Si]1(C)C)c1ccccc1
• Title of publication: Palladium-catalyzed silyl C(sp(3))-H bond activation.
• Authors of publication: Liang, Yun; Geng, Weizhi; Wei, Junnian; Ouyang, Kunbing; Xi, Zhenfeng
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2012
• Journal volume: 10
• Journal issue: 8
• Pages of publication: 1537 - 1542
• a: 13.268 ± 0.003 Å
• b: 10.072 ± 0.002 Å
• c: 13.822 ± 0.003 Å
• α: 90°
• β: 91.6 ± 0.03°
• γ: 90°
• Cell volume: 1846.4 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0965
• Residual factor for significantly intense reflections: 0.0484
• Weighted residual factors for significantly intense reflections: 0.0865
• Weighted residual factors for all reflections included in the refinement: 0.0899
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No