Information card for entry 1547298

Structure parameters

• Formula: C21 H22 N2 O Si
• Calculated formula: C21 H22 N2 O Si
• SMILES: [Si](/C=C(c1ccccc1)\C(=O)Nc1c2ncccc2ccc1)(C)(C)C
• Title of publication: Stereoselective Synthesis of Z-Vinylsilanes via Palladium-Catalyzed Direct Intermolecular Silylation of C(sp(2))-H Bonds.
• Authors of publication: Pan, Jin-Long; Chen, Chao; Ma, Zhi-Gang; Zhou, Jia; Wang, Li-Ren; Zhang, Shu-Yu
• Journal of publication: Organic letters
• Year of publication: 2017
• Journal volume: 19
• Journal issue: 19
• Pages of publication: 5216 - 5219
• a: 11.9573 ± 0.0003 Å
• b: 11.2275 ± 0.0003 Å
• c: 14.8598 ± 0.0004 Å
• α: 90°
• β: 98.926 ± 0.001°
• γ: 90°
• Cell volume: 1970.78 ± 0.09 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• 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: 0.0502
• Residual factor for significantly intense reflections: 0.0481
• Weighted residual factors for significantly intense reflections: 0.1236
• Weighted residual factors for all reflections included in the refinement: 0.1258
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No