Information card for entry 1529377

Structure parameters

• Formula: C23 H19 N O
• Calculated formula: C23 H14 N O
• Title of publication: Palladium‒N-heterocyclic carbene (NHC)-catalyzed synthesis of 2-ynamides via oxidative aminocarbonylation of alkynes with amines
• Authors of publication: Zhang, Chunyan; Liu, Jianhua; Xia, Chungu
• Journal of publication: Catal. Sci. Technol.
• Year of publication: 2015
• Journal volume: 5
• Journal issue: 10
• Pages of publication: 4750
• a: 9.4895 ± 0.0009 Å
• b: 9.9809 ± 0.0009 Å
• c: 18.7212 ± 0.0017 Å
• α: 88.615 ± 0.002°
• β: 83.84 ± 0.001°
• γ: 89.586 ± 0.002°
• Cell volume: 1762.4 ± 0.3 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0609
• Residual factor for significantly intense reflections: 0.0517
• Weighted residual factors for significantly intense reflections: 0.1365
• Weighted residual factors for all reflections included in the refinement: 0.1431
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No