Information card for entry 4073831

Structure parameters

• Formula: C19 H20 F6 O6
• Calculated formula: C19 H20 F6 O6
• SMILES: O[C@](/C=C(c1ccccc1)\C[C@](O)(C(F)(F)F)C(=O)OCC)(C(F)(F)F)C(=O)OCC.O[C@@](/C=C(c1ccccc1)\C[C@@](O)(C(F)(F)F)C(=O)OCC)(C(F)(F)F)C(=O)OCC
• Title of publication: Metal-Dependent Reactivity of Electrophilic Platinum Group Metal Lewis Acid Catalysts: Competitive Alkene Dimerization, Intramolecular Friedel−Crafts Alkylation, and Carbonyl-Ene Reactivity
• Authors of publication: Doherty, Simon; Knight, Julian G.; Smyth, Catherine H.; Harrington, Ross W.; Clegg, William
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 24
• Pages of publication: 5961
• a: 9.6109 ± 0.0012 Å
• b: 11.0995 ± 0.0014 Å
• c: 11.2859 ± 0.0014 Å
• α: 99.188 ± 0.002°
• β: 113.528 ± 0.002°
• γ: 105.054 ± 0.002°
• Cell volume: 1017.7 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0652
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for significantly intense reflections: 0.1259
• Weighted residual factors for all reflections included in the refinement: 0.1571
• Goodness-of-fit parameter for all reflections included in the refinement: 1.138
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No