Information card for entry 7133153

Structure parameters

• Chemical name: xzk
• Formula: C22 H29 N O S Si
• Calculated formula: C22 H29 N O S Si
• Title of publication: Regiodivergent C-H alkynylation of 2-arylthiazoles switched by Ru^II and Pd^II catalysis.
• Authors of publication: Zhou, Pengfei; Liang, Xinyao; Xu, Zekun; Chen, Honggu; Wei, Zongwu; Liang, Taoyuan; Jiang, Jun; Zhang, Zhuan
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2024
• Journal volume: 60
• Journal issue: 52
• Pages of publication: 6679 - 6682
• a: 8.798 ± 0.0007 Å
• b: 12.4654 ± 0.0013 Å
• c: 21.0908 ± 0.0014 Å
• α: 104.49 ± 0.007°
• β: 90.974 ± 0.006°
• γ: 91.921 ± 0.007°
• Cell volume: 2237.4 ± 0.3 ų
• Cell temperature: 293.15 K
• Ambient diffraction temperature: 293.15 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1493
• Residual factor for significantly intense reflections: 0.0671
• Weighted residual factors for significantly intense reflections: 0.1786
• Weighted residual factors for all reflections included in the refinement: 0.2381
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No