Information card for entry 7237815

Structure parameters

• Formula: C62 H64 Cl2 N4 O2 S
• Calculated formula: C62 H64 Cl2 N4 O2 S
• Title of publication: Enhanced thermally activated delayed fluorescence through bridge modification in sulfone-based emitters employed in deep blue organic light-emitting diodes
• Authors of publication: Rajamalli, Pachaiyappan; Chen, Dongyang; Li, Wenbo; Samuel, Ifor D. W.; Cordes, David B.; Slawin, Alexandra M. Z.; Zysman-Colman, Eli
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2019
• Journal volume: 7
• Journal issue: 22
• Pages of publication: 6664
• a: 14.8846 ± 0.0005 Å
• b: 31.8944 ± 0.001 Å
• c: 11.5391 ± 0.0004 Å
• α: 90°
• β: 97.384 ± 0.003°
• γ: 90°
• Cell volume: 5432.6 ± 0.3 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1276
• Residual factor for significantly intense reflections: 0.0623
• Weighted residual factors for significantly intense reflections: 0.1509
• Weighted residual factors for all reflections included in the refinement: 0.1757
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No