Information card for entry 4104559

Structure parameters

• Formula: C22 H25 Cl F3 N O3 S Si
• Calculated formula: C22 H25 Cl F3 N O3 S Si
• SMILES: [Si](c1c(OS(=O)(=O)C(F)(F)F)cccc1)(c1n(c2c(c1)cc(Cl)cc2)C)(C(C)C)C(C)C
• Title of publication: Palladium-Catalyzed Intramolecular Coupling of 2-[(2-Pyrrolyl)silyl]aryl Triflates through 1,2-Silicon Migration
• Authors of publication: Kenji Mochida; Masaki Shimizu; Tamejiro Hiyama
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Pages of publication: 8350 - 8351
• a: 8.922 ± 0.003 Å
• b: 15.574 ± 0.005 Å
• c: 18.579 ± 0.006 Å
• α: 94.703 ± 0.005°
• β: 96.798 ± 0.006°
• γ: 99.74 ± 0.006°
• Cell volume: 2512.7 ± 1.4 ų
• Cell temperature: 300 ± 2 K
• Ambient diffraction temperature: 300 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0732
• Residual factor for significantly intense reflections: 0.0561
• Weighted residual factors for significantly intense reflections: 0.1599
• Weighted residual factors for all reflections included in the refinement: 0.1703
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No