Information card for entry 7133152

Structure parameters

• Chemical name: LXY
• Formula: C31 H46 F N S Si2
• Calculated formula: C31 H46 F N S Si2
• 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: 8.1462 ± 0.0004 Å
• b: 13.1951 ± 0.0005 Å
• c: 15.8775 ± 0.0007 Å
• α: 90°
• β: 96.946 ± 0.004°
• γ: 90°
• Cell volume: 1694.15 ± 0.13 ų
• Cell temperature: 298.15 K
• Ambient diffraction temperature: 298.15 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0993
• Residual factor for significantly intense reflections: 0.0659
• Weighted residual factors for significantly intense reflections: 0.1685
• Weighted residual factors for all reflections included in the refinement: 0.1946
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No