Information card for entry 1552868

Structure parameters

• Formula: C47 H37 Cl2 N2 P3
• Calculated formula: C47 H37 Cl2 N2 P3
• 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: 10.3342 ± 0.0002 Å
• b: 22.3144 ± 0.0011 Å
• c: 17.0157 ± 0.0003 Å
• α: 90°
• β: 92.007 ± 0.002°
• γ: 90°
• Cell volume: 3921.4 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0325
• Residual factor for significantly intense reflections: 0.0309
• Weighted residual factors for significantly intense reflections: 0.0796
• Weighted residual factors for all reflections included in the refinement: 0.0806
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No