Information card for entry 4133714

Structure parameters

• Formula: C47 H75 N3 O2 Si2
• Calculated formula: C47 H75 N3 O2 Si2
• Title of publication: Heavier Carbonyl Olefination: The Sila-Wittig Reaction.
• Authors of publication: Reiter, Dominik; Frisch, Philipp; Szilvási, Tibor; Inoue, Shigeyoshi
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 42
• Pages of publication: 16991 - 16996
• a: 10.878 ± 0.0007 Å
• b: 20.5915 ± 0.0014 Å
• c: 20.3438 ± 0.0013 Å
• α: 90°
• β: 92.593 ± 0.002°
• γ: 90°
• Cell volume: 4552.2 ± 0.5 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• 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: 0.0532
• Residual factor for significantly intense reflections: 0.0488
• Weighted residual factors for significantly intense reflections: 0.1149
• Weighted residual factors for all reflections included in the refinement: 0.1182
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No