Information card for entry 1553940

Structure parameters

• Formula: C21 H20 Si
• Calculated formula: C21 H20 Si
• SMILES: [Si]1(c2cccc3c2c(ccc3)/C1=C(/C)c1ccccc1)(C)C
• Title of publication: Rhodium-catalyzed intramolecular carbosilylation of alkynes via C(sp3)‒Si bond cleavage
• Authors of publication: Yang, Qi; Liu, Liang; Chi, Yue; Hao, Wei; Zhang, Wen-Xiong; Xi, Zhenfeng
• Journal of publication: Organic Chemistry Frontiers
• Year of publication: 2018
• Journal volume: 5
• Journal issue: 5
• Pages of publication: 860
• a: 12.2864 ± 0.0007 Å
• b: 9.5206 ± 0.0006 Å
• c: 14.4288 ± 0.0008 Å
• α: 90°
• β: 96.731 ± 0.006°
• γ: 90°
• Cell volume: 1676.16 ± 0.17 ų
• Cell temperature: 180 ± 0.1 K
• Ambient diffraction temperature: 180 ± 0.1 K
• Number of distinct elements: 3
• 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: 0.0575
• Residual factor for significantly intense reflections: 0.0407
• Weighted residual factors for significantly intense reflections: 0.0958
• Weighted residual factors for all reflections included in the refinement: 0.1069
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No