Information card for entry 4064747

Structure parameters

• Formula: C50 H59 Cl0 N2 O P Si
• Calculated formula: C50 H59 N2 O P Si
• SMILES: CC1=CC(=C)N(c2c(cccc2C(C)C)C(C)C)[SiH](C(C(=O)C)=P(c2ccccc2)(c2ccccc2)c2ccccc2)N1c1c(cccc1C(C)C)C(C)C
• Title of publication: Regiospecific C‒H Bond Activation: Reactivity Study of N-Heterocyclic Silylene toward Ambidentate Phosphorus Ylide
• Authors of publication: Azhakar, Ramachandran; Sarish, Sankaranarayana Pillai; Roesky, Herbert W.; Hey, Jakob; Stalke, Dietmar
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 11
• Pages of publication: 2897
• a: 24.976 ± 0.006 Å
• b: 11.607 ± 0.003 Å
• c: 35.602 ± 0.009 Å
• α: 90°
• β: 98.43 ± 0.003°
• γ: 90°
• Cell volume: 10209 ± 4 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0699
• Residual factor for significantly intense reflections: 0.0497
• Weighted residual factors for significantly intense reflections: 0.1153
• Weighted residual factors for all reflections included in the refinement: 0.1222
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.56086 Å
• Diffraction radiation type: AgKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No