Information card for entry 1542606

Structure parameters

• Formula: C24 H38 Cl4 Rh2
• Calculated formula: C24 H38 Cl4 Rh2
• SMILES: [Rh]12345([Cl][Rh]6789([Cl]1)(Cl)[c]1([c]6([c]7([c]8([c]91C)C)C)C)C(C)C)(Cl)[c]1([c]2([c]3([c]4([c]51C)C)C)C)C(C)C
• 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: 8.2993 ± 0.0002 Å
• b: 8.9088 ± 0.0002 Å
• c: 9.3961 ± 0.0002 Å
• α: 102.335 ± 0.0011°
• β: 106.607 ± 0.0011°
• γ: 94.5603 ± 0.0011°
• Cell volume: 643 ± 0.03 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0176
• Residual factor for significantly intense reflections: 0.0163
• Weighted residual factors for significantly intense reflections: 0.0388
• Weighted residual factors for all reflections included in the refinement: 0.0393
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No