Information card for entry 1573953

Structure parameters

• Formula: C41 H26 N4 O
• Calculated formula: C41 H26 N4 O
• SMILES: o1c(nnc1c1ccccc1)c1c(c2c(c3n(c4ccccc4)c4c5c(c6c(c4n3)cccc6)cccc5)cccc2)cccc1
• 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: 10.327 ± 0.0013 Å
• b: 11.0712 ± 0.0014 Å
• c: 13.0992 ± 0.0017 Å
• α: 93.047 ± 0.002°
• β: 92.234 ± 0.002°
• γ: 102.161 ± 0.002°
• Cell volume: 1460.1 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0471
• Residual factor for significantly intense reflections: 0.0355
• Weighted residual factors for significantly intense reflections: 0.0903
• Weighted residual factors for all reflections included in the refinement: 0.096
• Goodness-of-fit parameter for all reflections included in the refinement: 0.955
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No