Information card for entry 4127464

Structure parameters

• Formula: C30 H36 Co F6 N2 O2
• Calculated formula: C30 H36 Co F6 N2 O2
• SMILES: CC1([N]2[Co]3([N](C1(C)C)=Cc1cc(cc(c1O3)C(C)(C)C)C(F)(F)F)Oc1c(cc(cc1C=2)C(F)(F)F)C(C)(C)C)C
• Title of publication: Bimetallic Radical Redox-Relay Catalysis for the Isomerization of Epoxides to Allylic Alcohols.
• Authors of publication: Ye, Ke-Yin; McCallum, Terry; Lin, Song
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 24
• Pages of publication: 9548 - 9554
• a: 10.2386 ± 0.0001 Å
• b: 23.8719 ± 0.0002 Å
• c: 11.734 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2867.96 ± 0.04 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 20
• Hermann-Mauguin space group symbol: C 2 2 21
• Hall space group symbol: C 2c 2
• Residual factor for all reflections: 0.0198
• Residual factor for significantly intense reflections: 0.0194
• Weighted residual factors for significantly intense reflections: 0.0511
• Weighted residual factors for all reflections included in the refinement: 0.0512
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No