Information card for entry 4128427

Structure parameters

• Formula: C19 H17 N
• Calculated formula: C19 H17 N
• SMILES: n1cc2CC[C@@H](c3c4ccccc4ccc3)Cc2cc1
• Title of publication: Regio- and Enantioselective C-H Cyclization of Pyridines with Alkenes Enabled by a Nickel/N-Heterocyclic Carbene Catalysis.
• Authors of publication: Zhang, Wu-Bin; Yang, Xin-Tuo; Ma, Jun-Bao; Su, Zhi-Ming; Shi, Shi-Liang
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 14
• Pages of publication: 5628 - 5634
• a: 9.3155 ± 0.0007 Å
• b: 8.4154 ± 0.0006 Å
• c: 9.8563 ± 0.0007 Å
• α: 90°
• β: 112.865 ± 0.002°
• γ: 90°
• Cell volume: 711.96 ± 0.09 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• 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: 0.0301
• Weighted residual factors for significantly intense reflections: 0.077
• Weighted residual factors for all reflections included in the refinement: 0.0779
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No