Information card for entry 7237987

Structure parameters

• Chemical name: 23AcCz-PM
• Formula: C49 H36 N4
• Calculated formula: C49 H36 N4
• Title of publication: Highly efficient TADF OLEDs with low efficiency roll-off based on novel acridine‒carbazole hybrid donor-substituted pyrimidine derivatives
• Authors of publication: Zhang, Qing; Sun, Shuaiqiang; Chung, Won Jae; Yoon, Sung Joon; Wang, Yaxiong; Guo, Runda; Ye, Shaofeng; Lee, Jun Yeob; Wang, Lei
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2019
• Journal volume: 7
• Journal issue: 39
• Pages of publication: 12248
• a: 15.3627 ± 0.0001 Å
• b: 14.6158 ± 0.0001 Å
• c: 16.7357 ± 0.0001 Å
• α: 90°
• β: 107.788 ± 0.001°
• γ: 90°
• Cell volume: 3578.16 ± 0.04 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 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: 0.0401
• Residual factor for significantly intense reflections: 0.0377
• Weighted residual factors for significantly intense reflections: 0.0928
• Weighted residual factors for all reflections included in the refinement: 0.0944
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No