Information card for entry 4085184

Structure parameters

• Formula: C18 H38 Li N3 Si
• Calculated formula: C18 H38 Li N3 Si
• SMILES: [Si]1(C[N]2(CCCC2)[Li]2(C1/C=C/C=C)[N](CC[N]2(C)C)(C)C)(C)C
• Title of publication: Directed Lithiation of Pentadienylsilanes
• Authors of publication: Day, Benjamin M.; McDouall, Joseph J. W.; Clayden, Jonathan; Layfield, Richard A.
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 11
• Pages of publication: 2348
• a: 10.9738 ± 0.0007 Å
• b: 15.019 ± 0.0008 Å
• c: 13.2126 ± 0.0007 Å
• α: 90°
• β: 99.983 ± 0.005°
• γ: 90°
• Cell volume: 2144.7 ± 0.2 ų
• Cell temperature: 150.06 ± 0.12 K
• Ambient diffraction temperature: 150.06 ± 0.12 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: 0.067
• Residual factor for significantly intense reflections: 0.0489
• Weighted residual factors for significantly intense reflections: 0.1036
• Weighted residual factors for all reflections included in the refinement: 0.1133
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No