Information card for entry 1551463

Structure parameters

• Formula: C24 H40 O6 P2 Si
• Calculated formula: C24 H38 O6 P2 Si
• SMILES: c12c(cccc1)O[Si]1(O2)([O]=P(CC)(CC)CC)(Oc2c(cccc2)O1)[O]=P(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: 7.85 ± 0.0016 Å
• b: 8.484 ± 0.0017 Å
• c: 10.295 ± 0.002 Å
• α: 83.8 ± 0.03°
• β: 73.07 ± 0.03°
• γ: 83.17 ± 0.03°
• Cell volume: 649.3 ± 0.2 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0814
• Residual factor for significantly intense reflections: 0.0453
• Weighted residual factors for significantly intense reflections: 0.1079
• Weighted residual factors for all reflections included in the refinement: 0.1239
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No