Information card for entry 4104561

Structure parameters

• Formula: C27 H29 N O2 S Si
• Calculated formula: C27 H29 N O2 S Si
• SMILES: Cc1ccc(S(=O)(=O)n2c3c(c4[Si](c5c(c24)cccc5)(C(C)C)C(C)C)cccc3)cc1
• 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: 17.8271 ± 0.0014 Å
• b: 14.2864 ± 0.0011 Å
• c: 20.0246 ± 0.0016 Å
• α: 90°
• β: 96.779 ± 0.001°
• γ: 90°
• Cell volume: 5064.3 ± 0.7 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: 0.1135
• Residual factor for significantly intense reflections: 0.0684
• Weighted residual factors for significantly intense reflections: 0.1787
• Weighted residual factors for all reflections included in the refinement: 0.196
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No