Information card for entry 1571771

Structure parameters

• Formula: C44 H32 N6
• Calculated formula: C44 H32 N6
• Title of publication: Optimizing the energy level alignment for achieving record-breaking efficiency in hot exciton deep red OLEDs.
• Authors of publication: Wu, Yujie; Zhang, Jiasen; Li, Deli; Du, Songyu; Mu, Xilin; Liu, Chunyu; Fang, Kaibo; Feng, Tingting; Wang, Tao; Li, Wei; Ge, Ziyi
• Journal of publication: Materials horizons
• Year of publication: 2024
• Journal volume: 11
• Journal issue: 16
• Pages of publication: 3928 - 3934
• a: 8.9279 ± 0.0004 Å
• b: 10.6851 ± 0.0004 Å
• c: 35.7149 ± 0.0014 Å
• α: 90°
• β: 94.171 ± 0.001°
• γ: 90°
• Cell volume: 3398 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1136
• Residual factor for significantly intense reflections: 0.0602
• Weighted residual factors for significantly intense reflections: 0.129
• Weighted residual factors for all reflections included in the refinement: 0.1566
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No