Information card for entry 7248210

Structure parameters

• Formula: C60 H34 N4 O4 S2
• Calculated formula: C60 H34 N4 O4 S2
• SMILES: S1c2c(N(c3ccc4c5c(C(=O)N(C4=O)c4ccccc4)cccc35)c3ccccc13)cccc2.S1c2c(N(c3c4c5c(C(=O)N(c6ccccc6)C(=O)c5ccc4)cc3)c3c1cccc3)cccc2
• Title of publication: Efficient orange and red thermally activated delayed fluorescence materials based on 1,8-naphthalimide derivatives
• Authors of publication: Chen, Meiling; Chen, Yuzhuo; Li, Yan; Lin, Yuhong; Wu, Yunan
• Journal of publication: RSC Advances
• Year of publication: 2024
• Journal volume: 14
• Journal issue: 10
• Pages of publication: 6494 - 6500
• a: 9.3848 ± 0.0003 Å
• b: 13.2196 ± 0.0005 Å
• c: 19.2723 ± 0.0006 Å
• α: 79.837 ± 0.003°
• β: 79.503 ± 0.002°
• γ: 84.025 ± 0.002°
• Cell volume: 2307.68 ± 0.14 ų
• Cell temperature: 119.99 ± 0.1 K
• Ambient diffraction temperature: 119.99 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0425
• Residual factor for significantly intense reflections: 0.0385
• Weighted residual factors for significantly intense reflections: 0.1011
• Weighted residual factors for all reflections included in the refinement: 0.1048
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No