Information card for entry 4132787

Structure parameters

• Formula: C52 H83 Co F3 N6 O9 S
• Calculated formula: C52 H83 Co F3 N6 O9 S
• Title of publication: Mechanistic Interrogation of Co/Ni-Dual Catalyzed Hydroarylation.
• Authors of publication: Shevick, Sophia L.; Obradors, Carla; Shenvi, Ryan A.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2018
• Journal volume: 140
• Journal issue: 38
• Pages of publication: 12056 - 12068
• a: 26.483 ± 0.003 Å
• b: 21.984 ± 0.002 Å
• c: 20.235 ± 0.002 Å
• α: 90°
• β: 106.187 ± 0.004°
• γ: 90°
• Cell volume: 11314 ± 2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 7
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.065
• Residual factor for significantly intense reflections: 0.0413
• Weighted residual factors for significantly intense reflections: 0.0746
• Weighted residual factors for all reflections included in the refinement: 0.0826
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No