Information card for entry 4130060

Structure parameters

• Formula: C25 H27 N O2
• Calculated formula: C25 H27 N O2
• SMILES: O=C(c1ccc(cc1)C)[C@@](NC(=O)C(C)(C)C)(c1ccc2c(c1)cccc2)C
• Title of publication: Enantioselective Intermolecular Enamide-Aldehyde Cross-Coupling Catalyzed by Chiral N-Heterocyclic Carbenes.
• Authors of publication: Wu, Jicheng; Zhao, Changgui; Wang, Jian
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2016
• Journal volume: 138
• Journal issue: 14
• Pages of publication: 4706 - 4709
• a: 21.2783 ± 0.0016 Å
• b: 6.1728 ± 0.0004 Å
• c: 18.1174 ± 0.0013 Å
• α: 90°
• β: 116.907 ± 0.009°
• γ: 90°
• Cell volume: 2122 ± 0.3 ų
• Cell temperature: 103.2 K
• Ambient diffraction temperature: 103.2 K
• Number of distinct elements: 4
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0476
• Residual factor for significantly intense reflections: 0.0427
• Weighted residual factors for significantly intense reflections: 0.1077
• Weighted residual factors for all reflections included in the refinement: 0.1126
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No