Information card for entry 1551464

Structure parameters

• Formula: C20 H20 Br8 O6 Si
• Calculated formula: C20 H20 Br8 O6 Si
• SMILES: c12c(c(c(c(c1Br)Br)Br)Br)O[Si]1(O2)([O](CC)CC)(Oc2c(c(c(c(c2Br)Br)Br)Br)O1)[O](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: 8.639 ± 0.0017 Å
• b: 9.598 ± 0.0019 Å
• c: 17.384 ± 0.004 Å
• α: 90°
• β: 93 ± 0.03°
• γ: 90°
• Cell volume: 1439.5 ± 0.5 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: 0.0814
• Residual factor for significantly intense reflections: 0.0404
• Weighted residual factors for significantly intense reflections: 0.0618
• Weighted residual factors for all reflections included in the refinement: 0.0709
• Goodness-of-fit parameter for all reflections included in the refinement: 0.993
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No