Information card for entry 7237986

Structure parameters

• Chemical name: 12AcCz-PM
• Formula: C98 H72 N8
• Calculated formula: C98 H72 N8
• 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: 15.0083 ± 0.0002 Å
• b: 15.807 ± 0.0002 Å
• c: 15.9762 ± 0.0002 Å
• α: 83.797 ± 0.001°
• β: 86.358 ± 0.001°
• γ: 69.306 ± 0.001°
• Cell volume: 3523.53 ± 0.08 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0423
• Residual factor for significantly intense reflections: 0.0414
• Weighted residual factors for significantly intense reflections: 0.0997
• Weighted residual factors for all reflections included in the refinement: 0.1001
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No