Information card for entry 4104558

Structure parameters

• Formula: C21 H26 Cl N O Si
• Calculated formula: C21 H26 Cl N O Si
• SMILES: c1cccc(c1[Si](C(C)C)(C(C)C)c1cc2cc(ccc2n1C)Cl)O
• 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: 9.7654 ± 0.0007 Å
• b: 30.089 ± 0.002 Å
• c: 13.7152 ± 0.001 Å
• α: 90°
• β: 95.274 ± 0.001°
• γ: 90°
• Cell volume: 4012.9 ± 0.5 ų
• Cell temperature: 300 ± 2 K
• Ambient diffraction temperature: 300 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0738
• Residual factor for significantly intense reflections: 0.0547
• Weighted residual factors for significantly intense reflections: 0.1561
• Weighted residual factors for all reflections included in the refinement: 0.1642
• Goodness-of-fit parameter for all reflections included in the refinement: 0.988
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No