Information card for entry 4123940

Structure parameters

• Formula: C20 H24 Cl4 F6 Rh2
• Calculated formula: C20 H24 Cl4 F6 Rh2
• SMILES: [c]12([c]3([c]4([c]5([c]1([Rh]12345([Cl][Rh]2345([c]6([c]2([c]3([c]4([c]56C)C)C)C)C(F)(F)F)([Cl]1)Cl)Cl)C)C)C)C)C(F)(F)F
• Title of publication: Expedient Access to 2,3-Dihydropyridines from Unsaturated Oximes by Rh(III)-Catalyzed C-H Activation.
• Authors of publication: Romanov-Michailidis, Fedor; Sedillo, Kassandra F.; Neely, Jamie M.; Rovis, Tomislav
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2015
• Journal volume: 137
• Journal issue: 28
• Pages of publication: 8892 - 8895
• a: 28.244 ± 0.003 Å
• b: 28.244 ± 0.003 Å
• c: 8.1899 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 5658 ± 1.1 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0567
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for significantly intense reflections: 0.0689
• Weighted residual factors for all reflections included in the refinement: 0.0868
• Goodness-of-fit parameter for all reflections included in the refinement: 1.105
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No