Information card for entry 4127635

Structure parameters

• Formula: C23 H24 Cl N
• Calculated formula: C23 H24 Cl N
• SMILES: [Cl-].[NH2+]([C@@H](C(=C)c1ccc(c2ccccc2)cc1)C)Cc1ccccc1
• Title of publication: Ni-Catalyzed Enantioselective Intermolecular Hydroamination of Branched 1,3-Dienes Using Primary Aliphatic Amines.
• Authors of publication: Tran, Gaël; Shao, Wen; Mazet, Clément
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 37
• Pages of publication: 14814 - 14822
• a: 10.48643 ± 0.00015 Å
• b: 7.50634 ± 0.00011 Å
• c: 12.56284 ± 0.00019 Å
• α: 90°
• β: 91.0457 ± 0.0013°
• γ: 90°
• Cell volume: 988.72 ± 0.03 ų
• Cell temperature: 180.01 ± 0.1 K
• Ambient diffraction temperature: 180.01 ± 0.1 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: 0.0298
• Residual factor for significantly intense reflections: 0.0278
• Weighted residual factors for significantly intense reflections: 0.0705
• Weighted residual factors for all reflections included in the refinement: 0.0718
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No