Information card for entry 4117974

Structure parameters

• Formula: C25 H23 N O
• Calculated formula: C25 H23 N O
• SMILES: O[C@@]([C@@H](c1nc2ccccc2cc1)C)(c1ccccc1)Cc1ccccc1
• 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: 9.2488 ± 0.0001 Å
• b: 5.6157 ± 0.0001 Å
• c: 18.4938 ± 0.0003 Å
• α: 90°
• β: 103.113 ± 0.001°
• γ: 90°
• Cell volume: 935.49 ± 0.02 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0273
• Residual factor for significantly intense reflections: 0.0269
• Weighted residual factors for significantly intense reflections: 0.0732
• Weighted residual factors for all reflections included in the refinement: 0.0737
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No