Information card for entry 4036811

Structure parameters

• Formula: C29 H28 O Si
• Calculated formula: C29 H28 O Si
• SMILES: c1(cccc(c1)OC)/C(=C(c1ccccc1)\[Si](c1ccccc1)(C)C)c1ccccc1
• Title of publication: Intermolecular Three-Component Arylsilylation of Alkynes under Palladium/Copper Cooperative Catalysis.
• Authors of publication: Shintani, Ryo; Kurata, Hiroki; Nozaki, Kyoko
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2016
• Journal volume: 81
• Journal issue: 8
• Pages of publication: 3065 - 3069
• a: 20.582 ± 0.004 Å
• b: 6.5265 ± 0.0013 Å
• c: 17.616 ± 0.004 Å
• α: 90°
• β: 90.763 ± 0.003°
• γ: 90°
• Cell volume: 2366.1 ± 0.8 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0604
• Residual factor for significantly intense reflections: 0.0582
• Weighted residual factors for significantly intense reflections: 0.1423
• Weighted residual factors for all reflections included in the refinement: 0.1436
• Goodness-of-fit parameter for all reflections included in the refinement: 1.138
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No