Information card for entry 4133716

Structure parameters

• Formula: C62 H86 N3 O3 P Si2
• Calculated formula: C62 H86 N3 O3 P 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: 36.225 ± 0.005 Å
• b: 36.225 ± 0.005 Å
• c: 34.334 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 39019 ± 10 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.135
• Residual factor for significantly intense reflections: 0.0813
• Weighted residual factors for significantly intense reflections: 0.2419
• Weighted residual factors for all reflections included in the refinement: 0.2755
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No