Information card for entry 7106494

Structure parameters

• Common name: Au PF2O2
• Formula: C18 H15 Au F2 O2 P2
• Calculated formula: C18 H15 Au F2 O2 P2
• SMILES: [Au]([P](c1ccccc1)(c1ccccc1)c1ccccc1)OP(=O)(F)F
• Title of publication: Au(PPh3)OPOF2-Catalyzed Intramolecular [4+2] Cycloaddition Reaction of Dienynes
• Authors of publication: Soo Min Kim; Ji Hoon Park; Young Keun Chung
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 6719
• a: 10.9034 ± 0.0006 Å
• b: 9.1653 ± 0.0005 Å
• c: 18.9173 ± 0.001 Å
• α: 90°
• β: 100.487 ± 0.003°
• γ: 90°
• Cell volume: 1858.88 ± 0.18 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.067
• Residual factor for significantly intense reflections: 0.0478
• Weighted residual factors for significantly intense reflections: 0.1156
• Weighted residual factors for all reflections included in the refinement: 0.1261
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No