Information card for entry 4107721

Structure parameters

• Formula: C18 H22 N2 O3
• Calculated formula: C18 H22 N2 O3
• SMILES: O=C(OC(C)(C)C)N[C@@H](c1ccccc1)[C@@]1(C(=O)CCC1)C#N
• Title of publication: Asymmetric Catalysis via Dynamic Substrate/Ligand/Rare Earth Metal Conglomerate
• Authors of publication: Akihiro Nojiri; Naoya Kumagai; Masakatsu Shibasaki
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2008
• Journal volume: 130
• Pages of publication: 5630 - 5631
• a: 6.33947 ± 0.00012 Å
• b: 11.379 ± 0.00012 Å
• c: 23.8625 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1721.37 ± 0.06 ų
• Cell temperature: 153.1 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for significantly intense reflections: 0.0314
• Weighted residual factors for all reflections included in the refinement: 0.0718
• Goodness-of-fit parameter for all reflections included in the refinement: 1.152
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No