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Information card for entry 4129047
Preview
Coordinates | 4129047.cif |
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Original paper (by DOI) | HTML |
Formula | C27 H19 B Br F2 N O2 |
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Calculated formula | C27 H19 B Br F2 N O2 |
SMILES | Brc1cc2c(cc(C3=CC(=[O][B](F)(F)O3)c3cc4c(cc3)n(CC)c3c4cccc3)cc2)cc1 |
Title of publication | Pure Organic Room Temperature Phosphorescence from Excited Dimers in Self-Assembled Nanoparticles under Visible and Near-Infrared Irradiation in Water. |
Authors of publication | Wang, Xiao-Fang; Xiao, Hongyan; Chen, Peng-Zhong; Yang, Qing-Zheng; Chen, Bin; Tung, Chen-Ho; Chen, Yu-Zhe; Wu, Li-Zhu |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2019 |
Journal volume | 141 |
Journal issue | 12 |
Pages of publication | 5045 - 5050 |
a | 10.217 ± 0.002 Å |
b | 19.415 ± 0.004 Å |
c | 10.927 ± 0.002 Å |
α | 90° |
β | 90.86 ± 0.03° |
γ | 90° |
Cell volume | 2167.3 ± 0.7 Å3 |
Cell temperature | 153 ± 2 K |
Ambient diffraction temperature | 153.15 K |
Number of distinct elements | 7 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.082 |
Residual factor for significantly intense reflections | 0.0694 |
Weighted residual factors for significantly intense reflections | 0.1963 |
Weighted residual factors for all reflections included in the refinement | 0.2277 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.199 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4129047.html
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