Information card for entry 1544959

Structure parameters

• Formula: C22 H33 Cl2 F6 O2 Rh2 Sb
• Calculated formula: C22 H33 Cl2 F6 O2 Rh2 Sb
• SMILES: [Rh]123456([Cl][Rh]789%10([Cl]1)([O]=C(O2)C)[c]1([c]8([c]7([c]9([c]%101C)C)C)C)C)[c]1([c]3([c]5([c]4([c]61C)C)C)C)C.[Sb](F)(F)(F)(F)([F-])F
• Title of publication: Rhodium(III)-Catalyzed Selective Monoarylation of β or γ C(sp(3))-H Bonds Assisted by a Trimethylpyrazole Group.
• Authors of publication: Yuan, Chunchen; Tu, Guangliang; Zhao, Yingsheng
• Journal of publication: Organic letters
• Year of publication: 2016
• a: 7.9556 ± 0.0005 Å
• b: 13.9015 ± 0.0009 Å
• c: 14.3121 ± 0.001 Å
• α: 69.323 ± 0.002°
• β: 88.953 ± 0.002°
• γ: 80.298 ± 0.002°
• Cell volume: 1458.25 ± 0.17 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0376
• Residual factor for significantly intense reflections: 0.0311
• Weighted residual factors for significantly intense reflections: 0.0863
• Weighted residual factors for all reflections included in the refinement: 0.0903
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No