Information card for entry 1571532

Structure parameters

• Formula: C45 H36 N2 O2
• Calculated formula: C45 H36 N2 O2
• Title of publication: Unprecedented roll-off ratio in high-performing red TADF OLED emitters featuring 2,3-Indole-annulated naphthalene imide and auxiliary donors.
• Authors of publication: Grzelak, Magdalena; Kumar, Dharmendra; Kochman, Michał Andrzej; Wiosna-Sałyga, Gabriela; Morawiak, Maja; Kubas, Adam; Data, Przemyslaw; Lindner, Marcin
• Journal of publication: Chemical Science
• Year of publication: 2024
• a: 11.4231 ± 0.0004 Å
• b: 13.6228 ± 0.0004 Å
• c: 44.313 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6895.8 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.2581
• Residual factor for significantly intense reflections: 0.0731
• Weighted residual factors for significantly intense reflections: 0.141
• Weighted residual factors for all reflections included in the refinement: 0.2068
• Goodness-of-fit parameter for all reflections included in the refinement: 0.975
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No