Information card for entry 4133165

Structure parameters

• Formula: C36 H78 Cr I O11 Si2
• Calculated formula: C36 H78 Cr I O11 Si2
• SMILES: I[Cr]([O]1CCCC1)([O]1CCCC1)([O]1CCCC1)(O[Si](OC(C)(C)C)(OC(C)(C)C)OC(C)(C)C)O[Si](OC(C)(C)C)(OC(C)(C)C)OC(C)(C)C
• 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: 10.4074 ± 0.0009 Å
• b: 15.274 ± 0.0014 Å
• c: 17.3686 ± 0.0017 Å
• α: 114.788 ± 0.005°
• β: 90.356 ± 0.005°
• γ: 109.864 ± 0.005°
• Cell volume: 2321.4 ± 0.4 ų
• Cell temperature: 99.99 K
• Ambient diffraction temperature: 99.99 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: 0.1163
• Residual factor for significantly intense reflections: 0.0977
• Weighted residual factors for significantly intense reflections: 0.2493
• Weighted residual factors for all reflections included in the refinement: 0.2593
• Goodness-of-fit parameter for all reflections included in the refinement: 1.247
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No