Information card for entry 4128547

Structure parameters

• Formula: C38 H57 B Cu N2 O2.5
• Calculated formula: C38 H57 B Cu N2 O2.5
• Title of publication: Copper-Hydride-Catalyzed Enantioselective Processes with Allenyl Boronates. Mechanistic Nuances, Scope, and Utility in Target-Oriented Synthesis.
• Authors of publication: Sun, Yu; Zhou, Yuebiao; Shi, Ying; Del Pozo, Juan; Torker, Sebastian; Hoveyda, Amir H.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 30
• Pages of publication: 12087 - 12099
• a: 10.458 ± 0.002 Å
• b: 25.05 ± 0.005 Å
• c: 15.77 ± 0.003 Å
• α: 90 ± 0.03°
• β: 107.96 ± 0.03°
• γ: 90 ± 0.03°
• Cell volume: 3930 ± 1.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0517
• Residual factor for significantly intense reflections: 0.0482
• Weighted residual factors for significantly intense reflections: 0.1424
• Weighted residual factors for all reflections included in the refinement: 0.1455
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No