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Information card for entry 7223929
Preview
| Coordinates | 7223929.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C44 H54 Br4 N2 |
|---|---|
| Calculated formula | C44 H54 Br4 N2 |
| SMILES | c12ccccc1c(c1ccccc1c2/C=C/c1cc[n+](cc1)CCCCCCCC)/C=C/c1cc[n+](cc1)CCCCCCCC.O.O.[Br-].[Br-] |
| Title of publication | Development of an AIE based fluorescent probe for the detection of nitrate anions in aqueous solution over a wide pH range |
| Authors of publication | Chen, Shiyan; Ni, Xin-Long |
| Journal of publication | RSC Adv. |
| Year of publication | 2016 |
| Journal volume | 6 |
| Journal issue | 9 |
| Pages of publication | 6997 |
| a | 8.3338 ± 0.0008 Å |
| b | 29.562 ± 0.003 Å |
| c | 9.0991 ± 0.0008 Å |
| α | 90° |
| β | 114.598 ± 0.003° |
| γ | 90° |
| Cell volume | 2038.3 ± 0.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.1215 |
| Residual factor for significantly intense reflections | 0.0869 |
| Weighted residual factors for significantly intense reflections | 0.272 |
| Weighted residual factors for all reflections included in the refinement | 0.3042 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.075 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 174567 (current) | 2016-01-19 | cif/ Adding structures of 7223929 via cif-deposit CGI script. |
7223929.cif |
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Users of the data should acknowledge the original authors of the
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