Information card for entry 4129496

Structure parameters

• Formula: C22 H18 N O2 P
• Calculated formula: C22 H18 N O2 P
• SMILES: P12Oc3c(C(N2[C@@H]2CCc4ccccc24)c2ccccc2O1)cccc3
• Title of publication: Rhodium-Catalyzed Asymmetric 1,4-Addition of α,β-Unsaturated Imino Esters Using Chiral Bicyclic Bridgehead Phosphoramidite Ligands.
• Authors of publication: Lee, Ansoo; Kim, Hyunwoo
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2015
• Journal volume: 137
• Journal issue: 35
• Pages of publication: 11250 - 11253
• a: 9.1843 ± 0.0003 Å
• b: 10.2725 ± 0.0003 Å
• c: 18.8705 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1780.35 ± 0.1 ų
• Cell temperature: 147 ± 2 K
• Ambient diffraction temperature: 147 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0267
• Residual factor for significantly intense reflections: 0.0261
• Weighted residual factors for significantly intense reflections: 0.07
• Weighted residual factors for all reflections included in the refinement: 0.0703
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No