Information card for entry 4118029

Structure parameters

• Formula: C30 H30 F6 N2 O4 Rh S Sb
• Calculated formula: C30 H30 F6 N2 O4 Rh S Sb
• SMILES: [Rh]12345([OH2])([n]6cccc7c6c6c(cc7)cccc6N5S(=O)(=O)c5ccc(cc5)C)[c]5([c]1([c]2([c]3([c]45C)C)C)C)C.[Sb](F)(F)(F)([F-])(F)F.O
• Title of publication: Rhodium-Catalyzed Intermolecular Amidation of Arenes with Sulfonyl Azides via Chelation-Assisted C-H Bond Activation
• Authors of publication: Ji Young Kim; Sae Hume Park; Jaeyune Ryu; Seung Hwan Cho; Seok Hwan Kim; Sukbok Chang
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2012
• Journal volume: 134
• Pages of publication: 9110 - 9113
• a: 8.444 ± 0.0003 Å
• b: 15.9411 ± 0.0005 Å
• c: 24.0848 ± 0.0007 Å
• α: 97.948 ± 0.001°
• β: 94.371 ± 0.001°
• γ: 90.02 ± 0.001°
• Cell volume: 3201.3 ± 0.18 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0789
• Residual factor for significantly intense reflections: 0.0591
• Weighted residual factors for significantly intense reflections: 0.1611
• Weighted residual factors for all reflections included in the refinement: 0.1748
• Goodness-of-fit parameter for all reflections included in the refinement: 0.953
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: mokα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No