Information card for entry 1562362

Structure parameters

• Common name: JC-1-93
• Formula: C66 H56 F6 N2 O8
• Calculated formula: C66 H56 F6 N2 O8
• SMILES: c12cc(c([C@@H](c3ccccc3)C(=O)OCC)cc2N(c2c(N1c1ccc(cc1)C(F)(F)F)cc(c(c2)[C@@H](c1ccccc1)C(=O)OCC)[C@H](c1ccccc1)C(=O)OCC)c1ccc(cc1)C(F)(F)F)[C@H](c1ccccc1)C(=O)OCC
• Title of publication: Radical Addition to N,N-Diaryl Dihydrophenazine Photoredox Catalysts and Implications in Photoinduced Organocatalyzed Atom Transfer Radical Polymerization
• Authors of publication: Corbin, Daniel A.; Puffer, Katherine O.; Chism, Katherine A.; Cole, Justin P.; Theriot, Jordan C.; McCarthy, Blaine G.; Buss, Bonnie L.; Lim, Chern-Hooi; Lincoln, Sarah R.; Newell, Brian S.; Miyake, Garret M.
• Journal of publication: Macromolecules
• Year of publication: 2021
• Journal volume: 54
• Journal issue: 10
• Pages of publication: 4507 - 4516
• a: 6.5181 ± 0.0006 Å
• b: 14.7409 ± 0.0012 Å
• c: 16.2314 ± 0.0013 Å
• α: 114.08 ± 0.004°
• β: 93.91 ± 0.004°
• γ: 102.462 ± 0.004°
• Cell volume: 1368.8 ± 0.2 ų
• Cell temperature: 104 ± 2 K
• Ambient diffraction temperature: 104 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1041
• Residual factor for significantly intense reflections: 0.0568
• Weighted residual factors for significantly intense reflections: 0.131
• Weighted residual factors for all reflections included in the refinement: 0.1563
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No