Information card for entry 7112609

Structure parameters

• Common name: 1 in manuscript
• Formula: C93 H87 Au Cl7 O6 P
• Calculated formula: C93 H87 Au Cl7 O6 P
• SMILES: [Au](Cl)[P](Oc1c(c2c(cc1)cccc2)c1c(OC23CC4CC(C2)CC(C3)C4)ccc2ccccc12)(Oc1c(c2c(cc1)cccc2)c1c(OC23CC4CC(C2)CC(C3)C4)ccc2ccccc12)Oc1c(c2c(cc1)cccc2)c1c(OC23CC4CC(C2)CC(C3)C4)ccc2ccccc12.C(Cl)Cl.C(Cl)Cl.C(Cl)Cl
• 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: 13.5849 ± 0.0006 Å
• b: 19.9777 ± 0.0008 Å
• c: 16.2382 ± 0.0007 Å
• α: 90°
• β: 113.621 ± 0.001°
• γ: 90°
• Cell volume: 4037.7 ± 0.3 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0799
• Residual factor for significantly intense reflections: 0.0594
• Weighted residual factors for significantly intense reflections: 0.1291
• Weighted residual factors for all reflections included in the refinement: 0.1438
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No