Information card for entry 4501453

Structure parameters

• Common name: Sad220
• Formula: C13 H20 O2 Si
• Calculated formula: C13 H20 O2 Si
• SMILES: [Si]1(OC(C)(C(O1)(C)C)C)(c1ccccc1)C
• Title of publication: Coordinatively Saturated Tris(oxazolinyl)borato Zinc Hydride-Catalyzed Cross Dehydrocoupling of Silanes and Alcohols
• Authors of publication: Mukherjee, Debabrata; Thompson, Richard R.; Ellern, Arkady; Sadow, Aaron D.
• Journal of publication: ACS Catalysis
• Year of publication: 2011
• Journal volume: 1
• Journal issue: 7
• Pages of publication: 698
• a: 7.7423 ± 0.0004 Å
• b: 12.8158 ± 0.0007 Å
• c: 13.6032 ± 0.0008 Å
• α: 90°
• β: 97.565 ± 0.001°
• γ: 90°
• Cell volume: 1338.01 ± 0.13 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0405
• Residual factor for significantly intense reflections: 0.0382
• Weighted residual factors for significantly intense reflections: 0.1036
• Weighted residual factors for all reflections included in the refinement: 0.106
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No