Information card for entry 4117973

Structure parameters

• Formula: C19 H19 N O
• Calculated formula: C19 H19 N O
• SMILES: O[C@]([C@@H](c1nc2ccccc2cc1)C)(C)c1ccccc1
• Title of publication: Enantioselective Copper-Catalyzed Reductive Coupling of Alkenylazaarenes with Ketones
• Authors of publication: Aakarsh Saxena; Bonnie Choi; Hon Wai Lam
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2012
• Journal volume: 134
• Pages of publication: 8428 - 8431
• a: 6.04693 ± 0.00004 Å
• b: 7.43176 ± 0.00006 Å
• c: 33.64396 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1511.94 ± 0.018 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 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 all reflections: 0.0284
• Residual factor for significantly intense reflections: 0.0279
• Weighted residual factors for significantly intense reflections: 0.0723
• Weighted residual factors for all reflections included in the refinement: 0.0726
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No