Information card for entry 1552866

Structure parameters

• Formula: C46 H41 Au Cl N2 P3
• Calculated formula: C46 H41 Au Cl N2 P3
• SMILES: [Au](Cl)[P](C(=P(c1ccccc1)(c1ccccc1)c1ccccc1)C#N)(C(=P(c1ccccc1)(c1ccccc1)c1ccccc1)C#N)C1CCCCC1
• 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: 17.5516 ± 0.0007 Å
• b: 12.9246 ± 0.0002 Å
• c: 17.7238 ± 0.0007 Å
• α: 90°
• β: 93.431 ± 0.004°
• γ: 90°
• Cell volume: 4013.4 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0347
• Residual factor for significantly intense reflections: 0.0294
• Weighted residual factors for significantly intense reflections: 0.074
• Weighted residual factors for all reflections included in the refinement: 0.0784
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No