Information card for entry 1549623

Structure parameters

• Formula: C33 H22 N6 O7 Zn
• Calculated formula: C33 H22 N6 O7 Zn
• SMILES: [Zn]12(ON(=O)=O)(ON(=O)=O)[n]3c(c4[n]1cccc4)cc(cc3c1[n]2cccc1)c1ccc(N2c3ccccc3Oc3c2cccc3)cc1
• Title of publication: Organic emitter integrating aggregation-induced delayed fluorescence and room-temperature phosphorescence characteristics, and its application in time-resolved luminescence imaging.
• Authors of publication: Ni, Fan; Zhu, Zece; Tong, Xiao; Xie, Mingjuan; Zhao, Qiang; Zhong, Cheng; Zou, Yang; Yang, Chuluo
• Journal of publication: Chemical science
• Year of publication: 2018
• Journal volume: 9
• Journal issue: 28
• Pages of publication: 6150 - 6155
• a: 10.4399 ± 0.0014 Å
• b: 11.3331 ± 0.0015 Å
• c: 13.2139 ± 0.0018 Å
• α: 100.001 ± 0.002°
• β: 99.774 ± 0.002°
• γ: 99.056 ± 0.002°
• Cell volume: 1488.9 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0854
• Residual factor for significantly intense reflections: 0.0506
• Weighted residual factors for significantly intense reflections: 0.1376
• Weighted residual factors for all reflections included in the refinement: 0.1717
• Goodness-of-fit parameter for all reflections included in the refinement: 0.996
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No