Information card for entry 4517306

Structure parameters

• Formula: C22 H33 N3 O4 S Si
• Calculated formula: C22 H33 N3 O4 S Si
• Title of publication: Silylation of Pyridine, Picolines, and Quinoline with a Zinc Catalyst
• Authors of publication: Prybil, Joshua W.; Wallace, Rodney; Warren, Alexandra; Klingman, Jordan; Vaillant, Romane; Hall, Michael B.; Yang, Xin; Brennessel, William W.; Chin, Robert M.
• Journal of publication: ACS Omega
• Year of publication: 2020
• Journal volume: 5
• Journal issue: 3
• Pages of publication: 1528 - 1539
• a: 23.6621 ± 0.0003 Å
• b: 23.6621 ± 0.0003 Å
• c: 7.5296 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 3650.98 ± 0.12 ų
• Cell temperature: 99.9 ± 0.5 K
• Ambient diffraction temperature: 99.9 ± 0.5 K
• Number of distinct elements: 6
• Space group number: 176
• Hermann-Mauguin space group symbol: P 63/m
• Hall space group symbol: -P 6c
• Residual factor for all reflections: 0.1383
• Residual factor for significantly intense reflections: 0.1365
• Weighted residual factors for significantly intense reflections: 0.3691
• Weighted residual factors for all reflections included in the refinement: 0.3702
• Goodness-of-fit parameter for all reflections included in the refinement: 1.184
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No