Information card for entry 4517542

Structure parameters

• Formula: C50 H51 Cl O P2 Pd
• Calculated formula: C50 H51 Cl O P2 Pd
• Title of publication: Hydroamination of Aromatic Alkynes to Imines Catalyzed by Pd(II)-Anthraphos Complexes.
• Authors of publication: Erken, Christina; Hindemith, Carsten; Weyhermüller, Thomas; Hölscher, Markus; Werlé, Christophe; Leitner, Walter
• Journal of publication: ACS omega
• Year of publication: 2020
• Journal volume: 5
• Journal issue: 15
• Pages of publication: 8912 - 8918
• a: 11.4317 ± 0.0015 Å
• b: 12.324 ± 0.002 Å
• c: 15.915 ± 0.002 Å
• α: 85.293 ± 0.003°
• β: 74.338 ± 0.003°
• γ: 84.999 ± 0.003°
• Cell volume: 2146.7 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0745
• Residual factor for significantly intense reflections: 0.0464
• Weighted residual factors for significantly intense reflections: 0.1023
• Weighted residual factors for all reflections included in the refinement: 0.1148
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No