Information card for entry 4107723

Structure parameters

• Formula: C18 H21 Cl N2 O3
• Calculated formula: C18 H21 Cl N2 O3
• SMILES: Clc1c(cccc1)[C@H](NC(=O)OC(C)(C)C)[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: 13.5139 ± 0.0003 Å
• b: 13.5518 ± 0.0003 Å
• c: 20.3459 ± 0.0004 Å
• α: 89.7632 ± 0.0011°
• β: 89.9457 ± 0.0011°
• γ: 87.7746 ± 0.0011°
• Cell volume: 3723.26 ± 0.14 ų
• Cell temperature: 153.1 K
• Number of distinct elements: 5
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for all reflections included in the refinement: 0.1576
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No