Information card for entry 1572244

Structure parameters

• Formula: C38 H25 Cl3 N4
• Calculated formula: C38 H25 Cl3 N4
• SMILES: c1(ccccc1)N(c1ccc(cc1)c1cnc2c(c1)nc1c(c3c(c4c1cccc4)cccc3)n2)c1ccccc1.C(Cl)(Cl)Cl
• Title of publication: Unraveling non-radiative decay channels of exciplexes to construct efficient red emitters for organic light-emitting diodes.
• Authors of publication: Zhang, Heng-Yuan; Zhang, Ming; Zhuo, Hao; Yang, Hao-Yu; Han, Bo; Zheng, Yong-Hao; Wang, Hui; Lin, Hui; Tao, Si-Lu; Zheng, Cai-Jun; Zhang, Xiao-Hong
• Journal of publication: Chemical science
• Year of publication: 2024
• Journal volume: 15
• Journal issue: 36
• Pages of publication: 14651 - 14659
• a: 5.8302 ± 0.0007 Å
• b: 15.5059 ± 0.0015 Å
• c: 33.206 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3001.9 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.057
• Residual factor for significantly intense reflections: 0.0478
• Weighted residual factors for significantly intense reflections: 0.1154
• Weighted residual factors for all reflections included in the refinement: 0.1219
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No