Information card for entry 1572245

Structure parameters

• Chemical name: SAF-2NP
• Formula: C47 H35 N5 O
• Calculated formula: C47 H35 N5 O
• SMILES: c12cccnc1c1c(c3c2nc2c(cc(cc2)N2c4c(C5(c6c2cccc6)c2c(cccc2)c2c5cccc2)cccc4)n3)cccn1.CCOCC
• 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: 8.5144 ± 0.0008 Å
• b: 25.961 ± 0.003 Å
• c: 16.1272 ± 0.0016 Å
• α: 90°
• β: 101.375 ± 0.005°
• γ: 90°
• Cell volume: 3494.8 ± 0.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 4
• 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: 0.0492
• Residual factor for significantly intense reflections: 0.0413
• Weighted residual factors for significantly intense reflections: 0.1055
• Weighted residual factors for all reflections included in the refinement: 0.1113
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No