Information card for entry 4102701

Structure parameters

• Formula: C35 H41 F5 N2 Si
• Calculated formula: C35 H41 F5 N2 Si
• SMILES: [Si@H]1(N(c2c(cccc2C(C)C)C(C)C)C(=CC(=C)N1c1c(cccc1C(C)C)C(C)C)C)c1c(F)c(F)c(F)c(F)c1F
• Title of publication: Selective Aromatic C-F and C-H Bond Activation with Silylenes of Different Coordinate Silicon
• Authors of publication: Anukul Jana; Prinson P. Samuel; Gašper Tavčar; Herbert W. Roesky; Carola Schulzke
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2010
• Journal volume: 132
• Pages of publication: 10164 - 10170
• a: 9.5252 ± 0.0019 Å
• b: 17.166 ± 0.003 Å
• c: 10.174 ± 0.002 Å
• α: 90°
• β: 93.36 ± 0.03°
• γ: 90°
• Cell volume: 1660.7 ± 0.6 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0482
• Residual factor for significantly intense reflections: 0.0432
• Weighted residual factors for significantly intense reflections: 0.1062
• Weighted residual factors for all reflections included in the refinement: 0.1087
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No