Information card for entry 7112610

Structure parameters

• Common name: 3 in manuscript
• Formula: C30 H45 Au Cl O3 P
• Calculated formula: C30 H45 Au Cl O3 P
• SMILES: [Au](Cl)[P](OC12CC3CC(C1)CC(C2)C3)(OC12CC3CC(C1)CC(C2)C3)OC12CC3CC(C1)CC(C2)C3
• Title of publication: Highly active phosphite gold(I) catalysts for intramolecular hydroalkoxylation, enyne cyclization and furanyne cyclization
• Authors of publication: Maria Camila Blanco Jaimes; Frank Rominger; Mariette M. Pereira; Rui M. B. Carrilho; Sonia A. C. Carabineiro; A. Stephen K. Hashmi
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 4937
• a: 11.6943 ± 0.0013 Å
• b: 13.4623 ± 0.0015 Å
• c: 17.938 ± 0.002 Å
• α: 90°
• β: 92.652 ± 0.002°
• γ: 90°
• Cell volume: 2821 ± 0.5 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.0718
• Residual factor for significantly intense reflections: 0.0418
• Weighted residual factors for significantly intense reflections: 0.068
• Weighted residual factors for all reflections included in the refinement: 0.0752
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No