Information card for entry 7237728

Structure parameters

• Chemical name: TPA-PPI-OH
• Formula: C45 H31 N3 O
• Calculated formula: C45 H31 N3 O
• Title of publication: Synergistic effects of hydrogen bonds and the hybridized excited state observed for high-efficiency, deep-blue fluorescent emitters with narrow emission in OLED applications
• Authors of publication: Qiu, Xu; Xu, Yuwei; Wang, Cong; Hanif, Muddasir; Zhou, Jiadong; Zeng, Cheng; Li, Ya; Jiang, Qinglin; Zhao, Ruiyang; Hu, Dehua; Ma, Yuguang
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2019
• Journal volume: 7
• Journal issue: 18
• Pages of publication: 5461
• a: 10.6652 ± 0.0003 Å
• b: 10.8218 ± 0.0004 Å
• c: 14.7723 ± 0.0006 Å
• α: 89.128 ± 0.003°
• β: 76.181 ± 0.003°
• γ: 73.418 ± 0.003°
• Cell volume: 1584.2 ± 0.1 ų
• Cell temperature: 100 ± 0.8 K
• Ambient diffraction temperature: 100 ± 0.8 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0377
• Residual factor for significantly intense reflections: 0.0342
• Weighted residual factors for significantly intense reflections: 0.0862
• Weighted residual factors for all reflections included in the refinement: 0.0883
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No