Information card for entry 4104563

Structure parameters

• Formula: C21 H24 Cl N Si
• Calculated formula: C21 H24 Cl N Si
• SMILES: CC(C)[Si]1(C(C)C)c2ccccc2c2c1c1c(cc(cc1)Cl)n2C
• 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: 17.16 ± 0.002 Å
• b: 15.249 ± 0.002 Å
• c: 7.5538 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1976.6 ± 0.4 ų
• Cell temperature: 300 ± 2 K
• Ambient diffraction temperature: 300 ± 2 K
• Number of distinct elements: 5
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0489
• Residual factor for significantly intense reflections: 0.0438
• Weighted residual factors for significantly intense reflections: 0.1156
• Weighted residual factors for all reflections included in the refinement: 0.1202
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No