Information card for entry 1568037

Structure parameters

• Common name: WLG-EA-494-02
• Formula: C16 H22 O3 Si2
• Calculated formula: C16 H22 O3 Si2
• 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: 12.9559 ± 0.0007 Å
• b: 10.4977 ± 0.0006 Å
• c: 28.982 ± 0.002 Å
• α: 90°
• β: 95.735 ± 0.002°
• γ: 90°
• Cell volume: 3922 ± 0.4 ų
• Cell temperature: 85 ± 2 K
• Ambient diffraction temperature: 85 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0634
• Residual factor for significantly intense reflections: 0.053
• Weighted residual factors for significantly intense reflections: 0.1353
• Weighted residual factors for all reflections included in the refinement: 0.1426
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No