Information card for entry 4130282

Structure parameters

• Formula: C75 H70 F6 N8 O2 Sc
• Calculated formula: C75 H70 F6 N8 O2 Sc
• Title of publication: Tandem C(sp(2))-OMe Activation/C(sp(2))-C(sp(2)) Coupling in Early Transition-Metal Complexes: Aromatic C-O Activation beyond Late Transition Metals.
• Authors of publication: Radkov, Vasily; Roisnel, Thierry; Trifonov, Alexander; Carpentier, Jean-François; Kirillov, Evgueni
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2016
• Journal volume: 138
• Journal issue: 13
• Pages of publication: 4350 - 4353
• a: 11.8165 ± 0.0018 Å
• b: 13.72 ± 0.002 Å
• c: 22.645 ± 0.004 Å
• α: 73.837 ± 0.006°
• β: 84.453 ± 0.006°
• γ: 64.67 ± 0.006°
• Cell volume: 3186.1 ± 0.9 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.1975
• Residual factor for significantly intense reflections: 0.1009
• Weighted residual factors for significantly intense reflections: 0.2576
• Weighted residual factors for all reflections included in the refinement: 0.3056
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No