Information card for entry 4133166

Structure parameters

• Formula: C41 H87 Cl2 Cr2 I O12 Si2
• Calculated formula: C41 H87 Cl2 Cr2 I O12 Si2
• Title of publication: Unveiling the Takai Olefination Reagent via Tris( tert-butoxy)siloxy Variants.
• Authors of publication: Werner, Daniel; Anwander, Reiner
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2018
• Journal volume: 140
• Journal issue: 43
• Pages of publication: 14334 - 14341
• a: 16.4739 ± 0.0012 Å
• b: 17.6022 ± 0.0012 Å
• c: 20.0801 ± 0.0014 Å
• α: 90°
• β: 109.305 ± 0.0011°
• γ: 90°
• Cell volume: 5495.3 ± 0.7 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0726
• Residual factor for significantly intense reflections: 0.0439
• Weighted residual factors for significantly intense reflections: 0.0985
• Weighted residual factors for all reflections included in the refinement: 0.1152
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No