Information card for entry 7120665

Structure parameters

• Chemical name: (η^5^-3,4-diphenyl-1-(2,4,6-trimethylphenyl)-2,5-bis(trimethylsilyl)-1-silacyclopentadien-1-yl)-tetrahydrofuran-lithium
• Formula: C35 H47 Li O Si3
• Calculated formula: C35 H47 Li O Si3
• SMILES: [Si]12([C]3([Si](C)(C)C)=[C]4([C]5(=[C]1([Si](C)(C)C)[Li]2345[O]1CCCC1)c1ccccc1)c1ccccc1)c1c(cc(cc1C)C)C
• Title of publication: Planar lithium silolide: Aromaticity, with significant contribution of non-classical resonance structure
• Authors of publication: Fekete, Csaba; Kovacs, Ilona; Nyulaszi, Laszlo; Holczbauer, Tamas
• Journal of publication: Chem. Commun.
• Year of publication: 2017
• a: 11.8347 ± 0.0003 Å
• b: 19.7159 ± 0.0005 Å
• c: 14.9148 ± 0.0004 Å
• α: 90°
• β: 91.806 ± 0.007°
• γ: 90°
• Cell volume: 3478.37 ± 0.16 ų
• Cell temperature: 112 ± 2 K
• Ambient diffraction temperature: 112 ± 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: 0.0558
• Residual factor for significantly intense reflections: 0.0469
• Weighted residual factors for significantly intense reflections: 0.0988
• Weighted residual factors for all reflections included in the refinement: 0.1061
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No