Information card for entry 4069019

Structure parameters

• Formula: C30 H30 Au O4 P
• Calculated formula: C30 H30 Au O4 P
• SMILES: [Au]([P](c1ccccc1)(c1ccccc1)c1ccccc1)C(=C(C#CC(C)(C)C)\C(=O)OC)\C(=O)OC
• Title of publication: Palladium-Catalyzed Carboauration of Alkynes and Palladium/Gold Cross-Coupling
• Authors of publication: Shi, Yili; Ramgren, Stephen D.; Blum, Suzanne A.
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 5
• Pages of publication: 1275
• a: 11.5917 ± 0.0007 Å
• b: 12.0371 ± 0.0007 Å
• c: 20.6851 ± 0.0012 Å
• α: 102.877 ± 0.001°
• β: 90.739 ± 0.001°
• γ: 97.032 ± 0.001°
• Cell volume: 2790 ± 0.3 ų
• Cell temperature: 143 ± 2 K
• Ambient diffraction temperature: 143 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0282
• Residual factor for significantly intense reflections: 0.025
• Weighted residual factors for significantly intense reflections: 0.0617
• Weighted residual factors for all reflections included in the refinement: 0.0631
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No