Information card for entry 7127407

Structure parameters

• Formula: C31 H19 N3 O2
• Calculated formula: C31 H19 N3 O2
• SMILES: n1c(C(=O)n2c3c(c4c2cccc4)cccc3)cccc1C(=O)n1c2c(c3c1cccc3)cccc2
• Title of publication: X-ray excited ultralong room-temperature phosphorescence for organic afterglow scintillators.
• Authors of publication: Tang, Lele; Zan, Jie; Peng, Hao; Yan, Xi; Tao, Ye; Tian, Dan; Yang, Qingqing; Li, Huanhuan; Chen, Qiushui; Huang, Wei; Chen, Runfeng
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 88
• Pages of publication: 13559 - 13562
• a: 5.1443 ± 0.0006 Å
• b: 14.4148 ± 0.0017 Å
• c: 14.9692 ± 0.0016 Å
• α: 92.88 ± 0.003°
• β: 93.257 ± 0.003°
• γ: 90.232 ± 0.003°
• Cell volume: 1106.8 ± 0.2 ų
• Cell temperature: 296.93 K
• Ambient diffraction temperature: 296.93 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: 0.0721
• Residual factor for significantly intense reflections: 0.0475
• Weighted residual factors for significantly intense reflections: 0.1054
• Weighted residual factors for all reflections included in the refinement: 0.1172
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No