Information card for entry 4134667

Structure parameters

• Formula: C32 H52 Cu2 F6 N4 O6 S2
• Calculated formula: C32 H52 Cu2 F6 N4 O6 S2
• Title of publication: NHC-Copper Mediated Ligand-Directed Radiofluorination of Aryl Halides.
• Authors of publication: Sharninghausen, Liam S.; Brooks, Allen F.; Winton, Wade P.; Makaravage, Katarina J.; Scott, Peter J. H.; Sanford, Melanie S.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2020
• Journal volume: 142
• Journal issue: 16
• Pages of publication: 7362 - 7367
• a: 23.2214 ± 0.0003 Å
• b: 20.51134 ± 0.00017 Å
• c: 17.808 ± 0.0002 Å
• α: 90°
• β: 109.079 ± 0.0014°
• γ: 90°
• Cell volume: 8016.05 ± 0.17 ų
• Cell temperature: 225 ± 2 K
• Ambient diffraction temperature: 225 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0415
• Residual factor for significantly intense reflections: 0.0407
• Weighted residual factors for significantly intense reflections: 0.107
• Weighted residual factors for all reflections included in the refinement: 0.1078
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No