Information card for entry 4133167

Structure parameters

• Formula: C52 H116 Cr2 I2 O16 Si4
• Calculated formula: C52 H116 Cr2 I2 O16 Si4
• 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: 13.6739 ± 0.0004 Å
• b: 14.7859 ± 0.0004 Å
• c: 19.0519 ± 0.0005 Å
• α: 94.5434 ± 0.0014°
• β: 107.625 ± 0.0014°
• γ: 93.1097 ± 0.0014°
• Cell volume: 3647.15 ± 0.18 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0396
• Residual factor for significantly intense reflections: 0.0287
• Weighted residual factors for significantly intense reflections: 0.0641
• Weighted residual factors for all reflections included in the refinement: 0.0704
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No