Information card for entry 1564360

Structure parameters

• Formula: C27 H20 Cl11 P Si3
• Calculated formula: C27 H20 Cl11 P Si3
• SMILES: C(=C([C-](Cl)Cl)[Si](Cl)(Cl)Cl)([Si](Cl)(Cl)Cl)[Si](Cl)(Cl)Cl.[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: The power of trichlorosilylation: isolable trisilylated allyl anions, allyl radicals, and allenyl anions
• Authors of publication: Georg, Isabelle; Bursch, Markus; Endeward, Burkhard; Bolte, Michael; Lerner, Hans-Wolfram; Grimme, Stefan; Wagner, Matthias
• Journal of publication: Chemical Science
• Year of publication: 2021
• a: 13.4583 ± 0.0005 Å
• b: 18.6349 ± 0.0007 Å
• c: 14.6168 ± 0.0005 Å
• α: 90°
• β: 95.151 ± 0.003°
• γ: 90°
• Cell volume: 3651 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 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: 0.0512
• Residual factor for significantly intense reflections: 0.0382
• Weighted residual factors for significantly intense reflections: 0.094
• Weighted residual factors for all reflections included in the refinement: 0.1019
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No