Information card for entry 4104562

Structure parameters

• Formula: C22 H24 N2 Si
• Calculated formula: C22 H24 N2 Si
• SMILES: [Si]1(c2c(c3c1cc(cc3)C#N)n(c1c2cccc1)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: 7.8753 ± 0.0007 Å
• b: 9.9812 ± 0.0009 Å
• c: 12.5882 ± 0.0011 Å
• α: 85.742 ± 0.002°
• β: 89.861 ± 0.002°
• γ: 89.268 ± 0.002°
• Cell volume: 986.68 ± 0.15 ų
• Cell temperature: 300 ± 2 K
• Ambient diffraction temperature: 300 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0745
• Residual factor for significantly intense reflections: 0.0599
• Weighted residual factors for significantly intense reflections: 0.1836
• Weighted residual factors for all reflections included in the refinement: 0.196
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No