Information card for entry 4003450

Structure parameters

• Formula: C30 H26 N4
• Calculated formula: C30 H26 N4
• SMILES: n1c(n2nc(c3ccccc3)cc2)ccc(N2c3c(C(c4ccccc24)(C)C)cccc3)c1C
• Title of publication: Coordination-Induced Thermally Activated Delayed Fluorescence: From Non-TADF Donor–Acceptor-Type Ligand to TADF-Active Ag-Based Complexes
• Authors of publication: Jia, Ji-Hui; Liang, Dong; Yu, Rongmin; Chen, Xu-Lin; Meng, Lingyi; Chang, Jian-Fei; Liao, Jian-Zhen; Yang, Mingxue; Li, Xiao-Ning; Lu, Can-Zhong
• Journal of publication: Chemistry of Materials
• Year of publication: 2019
• a: 13.0497 ± 0.0008 Å
• b: 19.8573 ± 0.0011 Å
• c: 8.9019 ± 0.0005 Å
• α: 90°
• β: 99.657 ± 0.006°
• γ: 90°
• Cell volume: 2274.1 ± 0.2 ų
• Cell temperature: 100 ± 0.14 K
• Ambient diffraction temperature: 100 ± 0.14 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0661
• Residual factor for significantly intense reflections: 0.0502
• Weighted residual factors for significantly intense reflections: 0.1144
• Weighted residual factors for all reflections included in the refinement: 0.1267
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No