Information card for entry 4069020

Structure parameters

• Formula: C25 H24 Au O4 P
• Calculated formula: C25 H24 Au O4 P
• SMILES: [Au]([P](c1ccccc1)(c1ccccc1)c1ccccc1)/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: 9.189 ± 0.0016 Å
• b: 14.133 ± 0.003 Å
• c: 17.66 ± 0.003 Å
• α: 90°
• β: 96.027 ± 0.002°
• γ: 90°
• Cell volume: 2280.8 ± 0.7 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.015
• Residual factor for significantly intense reflections: 0.0142
• Weighted residual factors for significantly intense reflections: 0.0346
• Weighted residual factors for all reflections included in the refinement: 0.035
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No