Information card for entry 4104560

Structure parameters

• Formula: C27 H26 F3 N Si
• Calculated formula: C27 H26 F3 N Si
• SMILES: [Si]1(c2c3c(n(c2c2ccccc12)c1ccc(cc1)C(F)(F)F)cccc3)(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: 8.0586 ± 0.0013 Å
• b: 14.782 ± 0.002 Å
• c: 20.24 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2411 ± 0.6 ų
• Cell temperature: 300 ± 2 K
• Ambient diffraction temperature: 300 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.087
• Residual factor for significantly intense reflections: 0.0746
• Weighted residual factors for significantly intense reflections: 0.2021
• Weighted residual factors for all reflections included in the refinement: 0.214
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No