Information card for entry 4104557

Structure parameters

• Formula: C22 H29 N O2 Si
• Calculated formula: C22 H29 N O2 Si
• SMILES: CC([Si](c1c(O)cccc1)(c1n(c2ccc(OC)cc2c1)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: 8.7034 ± 0.0006 Å
• b: 9.7875 ± 0.0008 Å
• c: 13.2568 ± 0.0008 Å
• α: 82.294 ± 0.001°
• β: 73.449 ± 0.001°
• γ: 73.152 ± 0.001°
• Cell volume: 1034.39 ± 0.13 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: 0.0556
• Residual factor for significantly intense reflections: 0.0491
• Weighted residual factors for significantly intense reflections: 0.1392
• Weighted residual factors for all reflections included in the refinement: 0.1437
• Goodness-of-fit parameter for all reflections included in the refinement: 1.101
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No