Information card for entry 1562360

Structure parameters

• Formula: C46.5 H32 Cl7 N O Sb
• Calculated formula: C46.5 H32 Cl7 N O Sb
• Title of publication: Radical Cations of Phenoxazine and Dihydrophenazine Photoredox Catalysts and Their Role as Deactivators in Organocatalyzed Atom Transfer Radical Polymerization
• Authors of publication: Corbin, Daniel A.; McCarthy, Blaine G.; van de Lindt, Zach; Miyake, Garret M.
• Journal of publication: Macromolecules
• Year of publication: 2021
• Journal volume: 54
• Journal issue: 10
• Pages of publication: 4726 - 4738
• a: 11.6418 ± 0.0005 Å
• b: 18.8802 ± 0.0007 Å
• c: 18.9143 ± 0.0007 Å
• α: 90°
• β: 91.686 ± 0.002°
• γ: 90°
• Cell volume: 4155.6 ± 0.3 ų
• Cell temperature: 99.97 K
• Ambient diffraction temperature: 99.97 K
• Number of distinct elements: 6
• 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: 0.099
• Residual factor for significantly intense reflections: 0.065
• Weighted residual factors for significantly intense reflections: 0.1344
• Weighted residual factors for all reflections included in the refinement: 0.152
• Goodness-of-fit parameter for all reflections included in the refinement: 1.185
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No