Information card for entry 4117461

Structure parameters

• Formula: C77 H50 B F24 O2 P2 Rh S
• Calculated formula: C77 H50 B F24 O2 P2 Rh S
• Title of publication: Aryl Methyl Sulfides as Substrates for Rhodium-Catalyzed Alkyne Carbothiolation: Arene Functionalization with Activating Group Recycling
• Authors of publication: Joel F. Hooper; Adrian B. Chaplin; Carlos González-Rodríguez; Amber L. Thompson; Andrew S. Weller; Michael C. Willis
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2012
• Journal volume: 134
• Pages of publication: 2906 - 2909
• a: 11.6512 ± 0.0003 Å
• b: 18.6314 ± 0.0006 Å
• c: 19.4202 ± 0.0008 Å
• α: 117.813 ± 0.004°
• β: 91.16 ± 0.003°
• γ: 102.919 ± 0.003°
• Cell volume: 3596.2 ± 0.3 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.0966
• Residual factor for significantly intense reflections: 0.0804
• Weighted residual factors for all reflections: 0.2405
• Weighted residual factors for significantly intense reflections: 0.216
• Weighted residual factors for all reflections included in the refinement: 0.2405
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9382
• Diffraction radiation wavelength: 0.6889 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No