Information card for entry 7125631

Structure parameters

• Formula: C66 H50 N8
• Calculated formula: C66 H50 N8
• Title of publication: Fused twin-acridine scaffolds as electron donors for thermally activated delayed fluorescence emitters: controllable TADF behavior by methyl substitution
• Authors of publication: Chai, Danyang; Zou, Yang; Xiang, Yepeng; Zeng, Xuan; Chen, Zhanxiang; Gong, Shaolong; Yang, Chuluo
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 11.116 ± 0.0007 Å
• b: 14.9218 ± 0.001 Å
• c: 15.4714 ± 0.001 Å
• α: 90°
• β: 100.85 ± 0.003°
• γ: 90°
• Cell volume: 2520.4 ± 0.3 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 2 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0594
• Residual factor for significantly intense reflections: 0.0419
• Weighted residual factors for significantly intense reflections: 0.1004
• Weighted residual factors for all reflections included in the refinement: 0.123
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No