Information card for entry 1549638

Structure parameters

• Common name: BP210
• Formula: C34 H34 O Si
• Calculated formula: C34 H34 O Si
• SMILES: [Si](OC(C)c1ccc2ccc3cccc4ccc1c2c34)(c1ccc2ccccc2c1)(C(C)C)C(C)C
• Title of publication: Size-Dependent Rate Acceleration in the Silylation of Secondary Alcohols: the Bigger the Faster
• Authors of publication: Zipse, Hendrik; Marin-Luna, Marta; Poelloth, Benjamin; Zott, Fabian L.
• Journal of publication: Chemical Science
• Year of publication: 2018
• a: 10.8826 ± 0.0004 Å
• b: 34.7232 ± 0.0014 Å
• c: 7.28 ± 0.0003 Å
• α: 90°
• β: 104.291 ± 0.002°
• γ: 90°
• Cell volume: 2665.83 ± 0.18 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 4
• 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: 0.0643
• Residual factor for significantly intense reflections: 0.0551
• Weighted residual factors for significantly intense reflections: 0.1315
• Weighted residual factors for all reflections included in the refinement: 0.1373
• 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