Information card for entry 4117975

Structure parameters

• Formula: C19 H19 N O
• Calculated formula: C19 H19 N O
• SMILES: O[C@@]([C@H](c1nccc2ccccc12)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: 6.16 ± 0.00003 Å
• b: 14.96421 ± 0.0001 Å
• c: 7.96235 ± 0.00005 Å
• α: 90°
• β: 90.1372 ± 0.0005°
• γ: 90°
• Cell volume: 733.964 ± 0.008 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: 0.0236
• Residual factor for significantly intense reflections: 0.0235
• Weighted residual factors for significantly intense reflections: 0.0628
• Weighted residual factors for all reflections included in the refinement: 0.0628
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No