Information card for entry 4085185

Structure parameters

• Formula: C14 H28 Li N O2 Si
• Calculated formula: C14 H28 Li N O2 Si
• SMILES: [Si]1(C2[CH](=CC=C)[Li]342[O](CC[N]4(C1)CC[O]3C)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: 7.6101 ± 0.0003 Å
• b: 8.4731 ± 0.0004 Å
• c: 14.0204 ± 0.0007 Å
• α: 85.418 ± 0.004°
• β: 78.953 ± 0.004°
• γ: 80.657 ± 0.004°
• Cell volume: 874.42 ± 0.07 ų
• Cell temperature: 150.03 ± 0.1 K
• Ambient diffraction temperature: 150.03 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0773
• Residual factor for significantly intense reflections: 0.0565
• Weighted residual factors for significantly intense reflections: 0.1358
• Weighted residual factors for all reflections included in the refinement: 0.1487
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No