Information card for entry 1551468

Structure parameters

• Formula: C18 H23 O5 P Si
• Calculated formula: C18 H23 O5 P Si
• SMILES: P(=[O][Si]12(Oc3c(O1)cccc3)Oc1c(O2)cccc1)(CC)(CC)CC
• Title of publication: Bis(catecholato)silanes: assessment, rationale and increase of silicon’s Lewis superacidity
• Authors of publication: Hartmann, Deborah; Schädler, Marcel; Greb, Lutz
• Journal of publication: Chemical Science
• Year of publication: 2019
• a: 10.012 ± 0.002 Å
• b: 15.717 ± 0.003 Å
• c: 12.437 ± 0.003 Å
• α: 90°
• β: 109.77 ± 0.03°
• γ: 90°
• Cell volume: 1841.7 ± 0.8 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1292
• Residual factor for significantly intense reflections: 0.0536
• Weighted residual factors for significantly intense reflections: 0.1152
• Weighted residual factors for all reflections included in the refinement: 0.1439
• Goodness-of-fit parameter for all reflections included in the refinement: 0.996
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No