Information card for entry 4130956

Structure parameters

• Formula: C22 H15 N O
• Calculated formula: C22 H15 N O
• SMILES: N1(c2c(Oc3c1cccc3)cccc2)c1cccc2ccccc12
• Title of publication: Organocatalyzed Atom Transfer Radical Polymerization Using N-Aryl Phenoxazines as Photoredox Catalysts.
• Authors of publication: Pearson, Ryan M.; Lim, Chern-Hooi; McCarthy, Blaine G.; Musgrave, Charles B.; Miyake, Garret M.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2016
• Journal volume: 138
• Journal issue: 35
• Pages of publication: 11399 - 11407
• a: 8.8713 ± 0.0006 Å
• b: 9.1631 ± 0.0006 Å
• c: 11.2812 ± 0.0009 Å
• α: 83.142 ± 0.004°
• β: 78.687 ± 0.004°
• γ: 71.594 ± 0.004°
• Cell volume: 851.58 ± 0.11 ų
• Cell temperature: 117 ± 2 K
• Ambient diffraction temperature: 117 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0976
• Residual factor for significantly intense reflections: 0.0569
• Weighted residual factors for significantly intense reflections: 0.1236
• Weighted residual factors for all reflections included in the refinement: 0.1452
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No