Information card for entry 4104630

Structure parameters

• Formula: C43 H60 N3 O P Si
• Calculated formula: C43 H60 N3 O P Si
• SMILES: P12(N(CCN1C(C)C)C(C)C)=[O][Si](N(C1=C2[C@@H]2CC[C@H]1C2)c1c(cccc1C(C)C)C(C)C)(c1ccccc1)=Cc1c(cc(cc1C)C)C.P12(N(CCN1C(C)C)C(C)C)=[O][Si](N(C1=C2[C@H]2CC[C@@H]1C2)c1c(cccc1C(C)C)C(C)C)(c1ccccc1)=Cc1c(cc(cc1C)C)C
• Title of publication: Stable Phosphonium Sila-ylide with Reactivity as a Sila-Wittig Reagent
• Authors of publication: David Gau; Tsuyoshi Kato; Nathalie Saffon-Merceron; Fernando P. Cossío; Antoine Baceiredo
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Pages of publication: 8762 - 8763
• a: 11.4815 ± 0.0007 Å
• b: 19.0392 ± 0.0012 Å
• c: 18.8348 ± 0.0012 Å
• α: 90°
• β: 98.605 ± 0.004°
• γ: 90°
• Cell volume: 4070.9 ± 0.4 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1625
• Residual factor for significantly intense reflections: 0.0565
• Weighted residual factors for significantly intense reflections: 0.1081
• Weighted residual factors for all reflections included in the refinement: 0.1433
• Goodness-of-fit parameter for all reflections included in the refinement: 0.925
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No