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Information card for entry 7224948
Preview
| Coordinates | 7224948.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C21 H13 F5 N4 O S |
|---|---|
| Calculated formula | C21 H13 F5 N4 O S |
| SMILES | c1(c(c(c(c(c1c1nc2c(cc3c(c2)nc2c(cccc2)n3)[nH]1)F)F)F)F)F.CS(C)=O |
| Title of publication | A novel heteroacene 2-(perfluorophenyl)-1H-imidazo[4,5-b]phenazine for selective sensing of picric acid |
| Authors of publication | Gu, Pei-Yang; Wang, Chengyuan; Nie, Lina; Long, Guankui; Zhang, Qichun |
| Journal of publication | RSC Adv. |
| Year of publication | 2016 |
| Journal volume | 6 |
| Journal issue | 44 |
| Pages of publication | 37929 |
| a | 7.0576 ± 0.0006 Å |
| b | 10.7369 ± 0.0012 Å |
| c | 24.894 ± 0.002 Å |
| α | 90° |
| β | 91.844 ± 0.003° |
| γ | 90° |
| Cell volume | 1885.4 ± 0.3 Å3 |
| Cell temperature | 103 ± 2 K |
| Ambient diffraction temperature | 103 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0584 |
| Residual factor for significantly intense reflections | 0.0443 |
| Weighted residual factors for significantly intense reflections | 0.1082 |
| Weighted residual factors for all reflections included in the refinement | 0.1158 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 182202 (current) | 2016-04-19 | cif/ Adding structures of 7224948 via cif-deposit CGI script. |
7224948.cif |
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Users of the data should acknowledge the original authors of the
structural data.