Information card for entry 1552874

Structure parameters

• Formula: C45 H41 Cl2 N2 P3
• Calculated formula: C45 H41 Cl2 N2 P3
• SMILES: P(=C(P(C(=P(c1ccccc1)(c1ccccc1)c1ccccc1)C#N)C(C)(C)C)C#N)(c1ccccc1)(c1ccccc1)c1ccccc1.ClCCl
• 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: 9.8538 ± 0.0003 Å
• b: 22.9455 ± 0.0007 Å
• c: 17.3019 ± 0.0006 Å
• α: 90°
• β: 93.031 ± 0.003°
• γ: 90°
• Cell volume: 3906.5 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0644
• Residual factor for significantly intense reflections: 0.0434
• Weighted residual factors for significantly intense reflections: 0.1004
• Weighted residual factors for all reflections included in the refinement: 0.113
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No