Information card for entry 1542605

Structure parameters

• Formula: C20 H24 Cl4 F6 Rh2
• Calculated formula: C20 H24 Cl4 F6 Rh2
• SMILES: [Rh]12345(Cl)([Cl][Rh]6789([Cl]1)(Cl)[c]1([c]6([c]7([c]8([c]91C)C)C)C)C(F)(F)F)[c]1([c]2([c]3([c]4([c]51C)C)C)C)C(F)(F)F
• Title of publication: Overcoming naphthoquinone deactivation: rhodium-catalyzed C-5 selective C‒H iodination as a gateway to functionalized derivatives
• Authors of publication: Jardim, Guilherme A. M.; da Silva Júnior, Eufrânio N.; Bower, John F.
• Journal of publication: Chem. Sci.
• Year of publication: 2016
• Journal volume: 7
• Journal issue: 6
• Pages of publication: 3780
• a: 28.1638 ± 0.0009 Å
• b: 28.1638 ± 0.0009 Å
• c: 8.1635 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 5607.8 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0544
• Residual factor for significantly intense reflections: 0.0309
• Weighted residual factors for significantly intense reflections: 0.0491
• Weighted residual factors for all reflections included in the refinement: 0.0532
• Goodness-of-fit parameter for all reflections included in the refinement: 0.611
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No