Information card for entry 1573955

Structure parameters

• Formula: C32 H21 N3 O
• Calculated formula: C32 H21 N3 O
• SMILES: o1c(nnc1c1ccccc1)c1cccc(c2cccc(n3c4ccccc4c4ccccc34)c2)c1
• Title of publication: Multifunctional oxadiazole-based ultraviolet-emitting materials used as hosts for multicolor phosphorescence.
• Authors of publication: Chu, Lizhi; Ma, Chenglin; Zhang, Li; Zhou, Yannan; Song, Jingru; Sun, Qikun; Zhang, Shi-Tong; Yang, Wenjun; Xue, Shanfeng
• Journal of publication: Chemical science
• Year of publication: 2025
• Journal volume: 16
• Journal issue: 12
• Pages of publication: 5252 - 5259
• a: 53.653 ± 0.003 Å
• b: 9.11 ± 0.0006 Å
• c: 11.0235 ± 0.0007 Å
• α: 90°
• β: 95.524 ± 0.003°
• γ: 90°
• Cell volume: 5363 ± 0.6 ų
• Cell temperature: 303.15 K
• Ambient diffraction temperature: 303.15 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0921
• Residual factor for significantly intense reflections: 0.0783
• Weighted residual factors for significantly intense reflections: 0.2059
• Weighted residual factors for all reflections included in the refinement: 0.2143
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No