Information card for entry 4133161

Structure parameters

• Formula: C30 H70 Cr N2 O8 Si2
• Calculated formula: C30 H70 Cr N2 O8 Si2
• SMILES: [Cr]1(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)[N](CC[N]1(C)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: 10.496 ± 0.0009 Å
• b: 17.3331 ± 0.0014 Å
• c: 10.989 ± 0.0009 Å
• α: 90°
• β: 96.7186 ± 0.0012°
• γ: 90°
• Cell volume: 1985.5 ± 0.3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0462
• Residual factor for significantly intense reflections: 0.0382
• Weighted residual factors for significantly intense reflections: 0.0766
• Weighted residual factors for all reflections included in the refinement: 0.081
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No