Information card for entry 4130741

Structure parameters

• Formula: C27 H25 Br N O P
• Calculated formula: C27 H25 Br N O P
• SMILES: Brc1cc([C@H]([C@H](NP(=O)(c2ccccc2)c2ccccc2)c2ccccc2)C)ccc1
• Title of publication: Copper-Catalyzed Enantioselective Addition of Styrene-Derived Nucleophiles to Imines Enabled by Ligand-Controlled Chemoselective Hydrocupration.
• Authors of publication: Yang, Yang; Perry, Ian B.; Buchwald, Stephen L.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2016
• Journal volume: 138
• Journal issue: 31
• Pages of publication: 9787 - 9790
• a: 12.3219 ± 0.0015 Å
• b: 9.9416 ± 0.0012 Å
• c: 20.196 ± 0.003 Å
• α: 90°
• β: 107.031 ± 0.003°
• γ: 90°
• Cell volume: 2365.5 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0498
• Residual factor for significantly intense reflections: 0.0444
• Weighted residual factors for significantly intense reflections: 0.1082
• Weighted residual factors for all reflections included in the refinement: 0.1112
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No