Information card for entry 4518737

Structure parameters

• Formula: C27 H33 Cl3 N O2 Rh
• Calculated formula: C27 H33 Cl3 N O2 Rh
• SMILES: [Rh]12345([n]6ccccc6c6c1ccc(c6)C)(OC(=O)C(C)C)[c]1([c]2([c]3([c]4([c]51C)C)C)C)C.C(Cl)(Cl)Cl
• Title of publication: Electrolytic C‒H Oxygenation via Oxidatively Induced Reductive Elimination in Rh Catalysis
• Authors of publication: Jin, Seongho; Kim, Jinwoo; Kim, Dongwook; Park, Jung-Woo; Chang, Sukbok
• Journal of publication: ACS Catalysis
• Year of publication: 2021
• Pages of publication: 6590 - 6595
• a: 8.6935 ± 0.0004 Å
• b: 11.1078 ± 0.0004 Å
• c: 15.4392 ± 0.0006 Å
• α: 103.343 ± 0.0013°
• β: 102.776 ± 0.0013°
• γ: 103.769 ± 0.0013°
• Cell volume: 1347.51 ± 0.1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0412
• Residual factor for significantly intense reflections: 0.0333
• Weighted residual factors for significantly intense reflections: 0.0701
• Weighted residual factors for all reflections included in the refinement: 0.0748
• Goodness-of-fit parameter for all reflections included in the refinement: 1.13
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No