Information card for entry 4101374

Structure parameters

• Formula: C19 H6 Cl F36 O7 P2 Rh
• Calculated formula: C19 H6 Cl F36 O7 P2 Rh
• SMILES: [Rh](Cl)([P](OC(C(F)(F)F)C(F)(F)F)(OC(C(F)(F)F)C(F)(F)F)OC(C(F)(F)F)C(F)(F)F)([P](OC(C(F)(F)F)C(F)(F)F)(OC(C(F)(F)F)C(F)(F)F)OC(C(F)(F)F)C(F)(F)F)C#[O]
• Title of publication: Direct C-H arylation of (hetero)arenes with aryl iodides via rhodium catalysis.
• Authors of publication: Yanagisawa, Shuichi; Sudo, Tomoko; Noyori, Ryoji; Itami, Kenichiro
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2006
• Journal volume: 128
• Journal issue: 36
• Pages of publication: 11748 - 11749
• a: 33.05 ± 0.005 Å
• b: 17.903 ± 0.002 Å
• c: 13.525 ± 0.002 Å
• α: 90 ± 0.0005°
• β: 105.332 ± 0.0007°
• γ: 90 ± 0.0005°
• Cell volume: 7717.8 ± 1.9 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0503
• Residual factor for significantly intense reflections: 0.0419
• Weighted residual factors for significantly intense reflections: 0.101
• Weighted residual factors for all reflections included in the refinement: 0.1075
• Goodness-of-fit parameter for all reflections included in the refinement: 1.105
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No