Information card for entry 1562359

Structure parameters

• Formula: C32 H28 Cl6 N2 O2 Sb
• Calculated formula: C32 H28 Cl6 N2 O2 Sb
• SMILES: COc1ccc(cc1)[n+]1c2c(cccc2)[n+](c2c1cccc2)c1ccc(cc1)OC.c1ccccc1.[Sb](Cl)(Cl)(Cl)([Cl-])(Cl)Cl
• 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: 7.9631 ± 0.0003 Å
• b: 10.0144 ± 0.0004 Å
• c: 11.2341 ± 0.0005 Å
• α: 100.421 ± 0.002°
• β: 95.385 ± 0.002°
• γ: 106.067 ± 0.002°
• Cell volume: 836.8 ± 0.06 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0461
• Residual factor for significantly intense reflections: 0.0327
• Weighted residual factors for significantly intense reflections: 0.0704
• Weighted residual factors for all reflections included in the refinement: 0.075
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No