Information card for entry 1574668

Structure parameters

• Formula: C82 H112 K4 O4 Si4
• Calculated formula: C82 H112 K4 O4 Si4
• Title of publication: CO methylenation mediated by organo-alkali metal reagents: metal identity and ligand effects
• Authors of publication: Yang, Xiao; Davison, Nathan; Lowe, Matthew E.; Waddell, Paul G.; Armstrong, Roly J.; McMullin, Claire L.; Hopkinson, Matthew N.; Lu, Erli
• Journal of publication: Chemical Science
• Year of publication: 2025
• Journal volume: 16
• Journal issue: 24
• Pages of publication: 11151 - 11160
• a: 12.8781 ± 0.0002 Å
• b: 16.8307 ± 0.0002 Å
• c: 19.5417 ± 0.0002 Å
• α: 100.859 ± 0.001°
• β: 90.423 ± 0.001°
• γ: 94.841 ± 0.001°
• Cell volume: 4143.76 ± 0.09 ų
• Cell temperature: 150 ± 0.2 K
• Ambient diffraction temperature: 150 ± 0.2 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: 0.0596
• Residual factor for significantly intense reflections: 0.0486
• Weighted residual factors for significantly intense reflections: 0.1157
• Weighted residual factors for all reflections included in the refinement: 0.121
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No