Information card for entry 1566113

Structure parameters

• Formula: C75 H67 N2 O
• Calculated formula: C75 H65 N2 O
• Title of publication: Diindolocarbazole - achieving multiresonant thermally activated delayed fluorescence without the need for acceptor units.
• Authors of publication: Hall, David; Stavrou, Kleitos; Duda, Eimantas; Danos, Andrew; Bagnich, Sergey; Warriner, Stuart; Slawin, Alexandra M. Z.; Beljonne, David; Köhler, Anna; Monkman, Andrew; Olivier, Yoann; Zysman-Colman, Eli
• Journal of publication: Materials horizons
• Year of publication: 2022
• Journal volume: 9
• Journal issue: 3
• Pages of publication: 1068 - 1080
• a: 13.3376 ± 0.00016 Å
• b: 15.8984 ± 0.00019 Å
• c: 16.7118 ± 0.0002 Å
• α: 86.2207 ± 0.001°
• β: 87.3777 ± 0.001°
• γ: 69.0861 ± 0.0011°
• Cell volume: 3302.08 ± 0.07 ų
• Cell temperature: 125 K
• Ambient diffraction temperature: 125 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: 0.1545
• Residual factor for significantly intense reflections: 0.151
• Weighted residual factors for significantly intense reflections: 0.5146
• Weighted residual factors for all reflections included in the refinement: 0.5275
• Goodness-of-fit parameter for all reflections included in the refinement: 2.941
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No