Information card for entry 4073832

Structure parameters

• Formula: C19 H19 Cl F6 O6
• Calculated formula: C19 H19 Cl F6 O6
• SMILES: Clc1ccc(C(=C\[C@](O)(C(F)(F)F)C(=O)OCC)\C[C@@](O)(C(=O)OCC)C(F)(F)F)cc1.Clc1ccc(C(=C\[C@@](O)(C(F)(F)F)C(=O)OCC)\C[C@](O)(C(=O)OCC)C(F)(F)F)cc1
• 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: 11.715 ± 0.003 Å
• b: 11.8054 ± 0.0015 Å
• c: 16.619 ± 0.004 Å
• α: 90°
• β: 108.851 ± 0.018°
• γ: 90°
• Cell volume: 2175.1 ± 0.8 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0682
• Residual factor for significantly intense reflections: 0.0498
• Weighted residual factors for significantly intense reflections: 0.1255
• Weighted residual factors for all reflections included in the refinement: 0.1462
• Goodness-of-fit parameter for all reflections included in the refinement: 1.125
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No