Information card for entry 1552875

Structure parameters

• Formula: C97 H92 Cl10 N4 P6
• Calculated formula: C97 H92 Cl10 N4 P6
• Title of publication: Mono- and Diylide-substituted Phosphines (YPhos): Impact of the Ligand Properties on the Catalytic Activity in Gold(I)-Catalysed Hydroaminations
• Authors of publication: Schwarz, Christopher; Handelmann, Jens; Baier, Daniel M.; Ouissa, Alina; Gessner, Viktoria H.
• Journal of publication: Catalysis Science & Technology
• Year of publication: 2019
• a: 10.2673 ± 0.0011 Å
• b: 12.11 ± 0.002 Å
• c: 19.82 ± 0.002 Å
• α: 103.947 ± 0.012°
• β: 99.881 ± 0.009°
• γ: 100.687 ± 0.011°
• Cell volume: 2289 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0452
• Residual factor for significantly intense reflections: 0.0366
• Weighted residual factors for significantly intense reflections: 0.0913
• Weighted residual factors for all reflections included in the refinement: 0.0966
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No