Information card for entry 4033749

Structure parameters

• Formula: C24 H22 Si
• Calculated formula: C24 H22 Si
• SMILES: [Si](/C(=C/C)C#CC)(c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Pt-Catalyzed Hydrosilylation of 1,3-Diynes with Triorganosilanes: Regio- and Stereoselective Synthesis of Mono- or Bis-silylated Adducts.
• Authors of publication: Walkowiak, Jędrzej; Salamon, Katarzyna; Franczyk, Adrian; Stefanowska, Kinga; Szyling, Jakub; Kownacki, Ireneusz
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2019
• Journal volume: 84
• Journal issue: 4
• Pages of publication: 2358 - 2365
• a: 7.1974 ± 0.0005 Å
• b: 8.1606 ± 0.0007 Å
• c: 16.5692 ± 0.001 Å
• α: 82.517 ± 0.006°
• β: 83.519 ± 0.005°
• γ: 77.911 ± 0.007°
• Cell volume: 939.82 ± 0.12 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0479
• Residual factor for significantly intense reflections: 0.0388
• Weighted residual factors for significantly intense reflections: 0.0934
• Weighted residual factors for all reflections included in the refinement: 0.0986
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No