Information card for entry 4104034

Structure parameters

• Formula: C18 H21 Cl N2 O3
• Calculated formula: C18 H21 Cl N2 O3
• SMILES: Clc1c([C@@H](NC(=O)OC(C)(C)C)[C@@]2(C(=O)CCC2)C#N)cccc1
• Title of publication: Linking Structural Dynamics and Functional Diversity in Asymmetric Catalysis
• Authors of publication: Akihiro Nojiri; Naoya Kumagai; Masakatsu Shibasaki
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Pages of publication: 3779 - 3784
• a: 10.3937 ± 0.0003 Å
• b: 11.6798 ± 0.0004 Å
• c: 45.6145 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5537.4 ± 0.3 ų
• Cell temperature: 143.1 K
• Number of distinct elements: 5
• 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: 0.0849
• Weighted residual factors for all reflections included in the refinement: 0.2432
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No