Information card for entry 4104791

Structure parameters

• Formula: C26 H25 N O4
• Calculated formula: C26 H25 N O4
• SMILES: O([C@@]1(C[C@H](N(C1=O)Cc1ccc(OC)cc1)c1ccccc1)c1ccccc1)C(=O)C
• Title of publication: Cr(III)(salen)Cl Catalyzed Enantioselective Intramolecular Addition of Tertiary Enamides to Ketones: A General Access to Enantioenriched 1H-Pyrrol-2(3H)-one Derivatives Bearing a Hydroxylated Quaternary Carbon Atom
• Authors of publication: Luo Yang; De-Xian Wang; Zhi-Tang Huang; Mei-Xiang Wang
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Pages of publication: 10390 - 10391
• a: 7.1582 ± 0.0014 Å
• b: 12.936 ± 0.003 Å
• c: 11.286 ± 0.002 Å
• α: 90°
• β: 91.01 ± 0.03°
• γ: 90°
• Cell volume: 1044.9 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0437
• Residual factor for significantly intense reflections: 0.0375
• Weighted residual factors for significantly intense reflections: 0.0857
• Weighted residual factors for all reflections included in the refinement: 0.0973
• Goodness-of-fit parameter for all reflections included in the refinement: 1.126
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No