Information card for entry 4134918

Structure parameters

• Formula: C23 H28 Br Cl N3 O1.5
• Calculated formula: C23 H28 Br Cl N3 O1.5
• 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: 31.216 ± 0.003 Å
• b: 8.4388 ± 0.0008 Å
• c: 8.5385 ± 0.0008 Å
• α: 90°
• β: 93.3905 ± 0.0017°
• γ: 90°
• Cell volume: 2245.3 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0377
• Residual factor for significantly intense reflections: 0.0327
• Weighted residual factors for significantly intense reflections: 0.0621
• Weighted residual factors for all reflections included in the refinement: 0.0636
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No