Information card for entry 4515696

Structure parameters

• Formula: C20 H26 N O4 Zn
• Calculated formula: C20 H26 N O4 Zn
• Title of publication: Nickel-Catalyzed Regioselective 1,4-Hydroboration of N-Heteroarenes
• Authors of publication: Tamang, Sem Raj; Singh, Arpita; Unruh, Daniel K.; Findlater, Michael
• Journal of publication: ACS Catalysis
• Year of publication: 2018
• Journal volume: 8
• Journal issue: 7
• Pages of publication: 6186
• a: 10.811 ± 0.003 Å
• b: 16.451 ± 0.004 Å
• c: 11.445 ± 0.003 Å
• α: 90°
• β: 101.668 ± 0.003°
• γ: 90°
• Cell volume: 1993.5 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0705
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for significantly intense reflections: 0.1257
• Weighted residual factors for all reflections included in the refinement: 0.1355
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No