Information card for entry 4104555

Structure parameters

• Formula: C21 H27 N O Si
• Calculated formula: C21 H27 N O Si
• SMILES: Cn1c([Si](c2c(O)cccc2)(C(C)C)C(C)C)cc2c1cccc2
• 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: 7.6874 ± 0.0005 Å
• b: 11.6176 ± 0.0008 Å
• c: 12.1282 ± 0.0008 Å
• α: 105.956 ± 0.001°
• β: 106.265 ± 0.001°
• γ: 99.853 ± 0.001°
• Cell volume: 962.95 ± 0.11 ų
• Cell temperature: 300 ± 2 K
• Ambient diffraction temperature: 300 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0428
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for significantly intense reflections: 0.1138
• Weighted residual factors for all reflections included in the refinement: 0.1159
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No