Information card for entry 1543341

Structure parameters

• Formula: C32 H43 N2 Ni O2
• Calculated formula: C32 H43 N2 Ni O2
• Title of publication: Nickel-catalyzed cyclization of alkyne-nitriles with organoboronic acids involving anti-carbometalation of alkynes
• Authors of publication: Zhang, Xingjie; Xie, Xin; Liu, Yuanhong
• Journal of publication: Chem. Sci.
• Year of publication: 2016
• Journal volume: 7
• Journal issue: 9
• Pages of publication: 5815
• a: 16.297 ± 0.006 Å
• b: 17.312 ± 0.007 Å
• c: 10.642 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3002 ± 2 ų
• Cell temperature: 130 K
• Ambient diffraction temperature: 130 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.1034
• Residual factor for significantly intense reflections: 0.0679
• Weighted residual factors for significantly intense reflections: 0.1853
• Weighted residual factors for all reflections included in the refinement: 0.2274
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No