Information card for entry 4107724

Structure parameters

• Formula: C19 H26 N2 O3
• Calculated formula: C20 H26 N2 O3
• SMILES: O=C1[C@@]([C@@H](NC(=O)OC(C)(C)C)CCc2ccccc2)(CCC1)C#N.O=C1[C@]([C@H](NC(=O)OC(C)(C)C)CCc2ccccc2)(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: 15.2764 ± 0.0003 Å
• b: 12.2814 ± 0.0002 Å
• c: 21.5584 ± 0.0004 Å
• α: 90°
• β: 109.255 ± 0.0013°
• γ: 90°
• Cell volume: 3818.44 ± 0.12 ų
• Cell temperature: 93.1 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for significantly intense reflections: 0.0668
• Weighted residual factors for all reflections included in the refinement: 0.2175
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No