Information card for entry 1553939

Structure parameters

• Formula: C22 H22 Si
• Calculated formula: C22 H22 Si
• SMILES: [Si](c1c2c(ccc1)cccc2C#Cc1ccc(cc1)C)(C)(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: 8.8464 ± 0.0004 Å
• b: 13.6195 ± 0.0006 Å
• c: 30.1026 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3626.9 ± 0.3 ų
• Cell temperature: 180 ± 0.1 K
• Ambient diffraction temperature: 180 ± 0.1 K
• Number of distinct elements: 3
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.04
• Residual factor for significantly intense reflections: 0.0365
• Weighted residual factors for significantly intense reflections: 0.0977
• Weighted residual factors for all reflections included in the refinement: 0.1005
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No