Information card for entry 4118675

Structure parameters

• Formula: C43.5 H54 N2 O
• Calculated formula: C43.5 H54 N2 O
• Title of publication: Unique Radical Dearomatization and Two-Electron Reduction of a Redox-Active Ligand
• Authors of publication: Daniel A. Evans; Alan H. Cowley
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2012
• Journal volume: 134
• Pages of publication: 15672 - 15675
• a: 10.84 ± 0.003 Å
• b: 15.555 ± 0.004 Å
• c: 23.01 ± 0.006 Å
• α: 90°
• β: 91.876 ± 0.003°
• γ: 90°
• Cell volume: 3877.8 ± 1.8 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0867
• Residual factor for significantly intense reflections: 0.0642
• Weighted residual factors for significantly intense reflections: 0.1589
• Weighted residual factors for all reflections included in the refinement: 0.1785
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No