Information card for entry 1568036

Structure parameters

• Formula: C13 H22 O2 Si
• Calculated formula: C13 H22 O2 Si
• SMILES: [Si](c1ccc(cc1)CO)(O)(C(C)C)C(C)C
• Title of publication: Selective oxidation of silanes into silanols with water using [MnBr(CO)₅] as a precatalyst.
• Authors of publication: Antico, Emanuele; Leutzsch, Markus; Wessel, Niklas; Weyhermüller, Thomas; Werlé, Christophe; Leitner, Walter
• Journal of publication: Chemical science
• Year of publication: 2022
• Journal volume: 14
• Journal issue: 1
• Pages of publication: 54 - 60
• a: 8.0671 ± 0.0002 Å
• b: 15.0932 ± 0.0004 Å
• c: 22.4852 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2737.76 ± 0.12 ų
• Cell temperature: 233 ± 2 K
• Ambient diffraction temperature: 233 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0667
• Residual factor for significantly intense reflections: 0.0444
• Weighted residual factors for significantly intense reflections: 0.1069
• Weighted residual factors for all reflections included in the refinement: 0.1205
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No