Information card for entry 4132242

Structure parameters

• Formula: C19 H24 Cl N
• Calculated formula: C19 H24 Cl N
• SMILES: [Cl-].[NH2+]1C[C@@H]([C@@H](CC1)[C@@H](C)c1ccccc1)c1ccccc1
• Title of publication: Asymmetric Cu-Catalyzed 1,4-Dearomatization of Pyridines and Pyridazines without Preactivation of the Heterocycle or Nucleophile.
• Authors of publication: Gribble, Jr, Michael W; Guo, Sheng; Buchwald, Stephen L.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2018
• Journal volume: 140
• Journal issue: 15
• Pages of publication: 5057 - 5060
• a: 10.8999 ± 0.0009 Å
• b: 5.6054 ± 0.0005 Å
• c: 13.3076 ± 0.0011 Å
• α: 90°
• β: 91.6866 ± 0.0014°
• γ: 90°
• Cell volume: 812.72 ± 0.12 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.031
• Residual factor for significantly intense reflections: 0.0291
• Weighted residual factors for significantly intense reflections: 0.0727
• Weighted residual factors for all reflections included in the refinement: 0.0741
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No