Information card for entry 4134917

Structure parameters

• Formula: C20 H24 Br F3 O2 Si
• Calculated formula: C19.9995 H24 Br F2.9985 O2 Si
• Title of publication: Highly Enantioselective, Hydrogen-Bond-Donor Catalyzed Additions to Oxetanes.
• Authors of publication: Strassfeld, Daniel A.; Wickens, Zachary K.; Picazo, Elias; Jacobsen, Eric N.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2020
• Journal volume: 142
• Journal issue: 20
• Pages of publication: 9175 - 9180
• a: 9.7525 ± 0.0002 Å
• b: 10.9189 ± 0.0002 Å
• c: 11.7345 ± 0.0002 Å
• α: 115.117 ± 0.0011°
• β: 96.8758 ± 0.0012°
• γ: 106.146 ± 0.0011°
• Cell volume: 1045.39 ± 0.04 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0247
• Residual factor for significantly intense reflections: 0.0234
• Weighted residual factors for significantly intense reflections: 0.0582
• Weighted residual factors for all reflections included in the refinement: 0.0587
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No