Information card for entry 7125632

Structure parameters

• Formula: C49 H42 N2 O4 S2
• Calculated formula: C49 H42 N2 O4 S2
• 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: 13.6124 ± 0.0001 Å
• b: 11.8701 ± 0.0001 Å
• c: 24.4095 ± 0.0002 Å
• α: 90°
• β: 91.63 ± 0.001°
• γ: 90°
• Cell volume: 3942.5 ± 0.05 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 5
• 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: 0.0415
• Residual factor for significantly intense reflections: 0.0357
• Weighted residual factors for significantly intense reflections: 0.0898
• Weighted residual factors for all reflections included in the refinement: 0.0941
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No