Information card for entry 7236863

Structure parameters

• Formula: C44 H36 N2
• Calculated formula: C44 H36 N2
• Title of publication: Sky-blue thermally activated delayed fluorescence material employing a diphenylethyne acceptor for organic light-emitting diodes
• Authors of publication: He, Zuozheng; Cai, Xinyi; Wang, Zhiheng; Li, Yunchuan; Xu, Zhida; Liu, Kunkun; Chen, Dongcheng; Su, Shi-Jian
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2018
• Journal volume: 6
• Journal issue: 1
• Pages of publication: 36
• a: 9.3224 ± 0.0007 Å
• b: 21.5654 ± 0.0017 Å
• c: 8.081 ± 0.0005 Å
• α: 90°
• β: 100.337 ± 0.006°
• γ: 90°
• Cell volume: 1598.2 ± 0.2 ų
• Cell temperature: 149.99 ± 0.1 K
• Ambient diffraction temperature: 149.99 ± 0.1 K
• Number of distinct elements: 3
• 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: 0.0492
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.111
• Weighted residual factors for all reflections included in the refinement: 0.1152
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No