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Information card for entry 1544707
Preview
| Coordinates | 1544707.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C13 H4 F10 N4 O |
|---|---|
| Calculated formula | C13 H4 F10 N4 O |
| SMILES | O=C(NNc1c(F)c(F)c(F)c(F)c1F)NNc1c(F)c(F)c(F)c(F)c1F |
| Title of publication | A novel ditopic chemosensor for cadmium and fluoride and its possible application as a pH sensor |
| Authors of publication | Chowdhury, Additi Roy; Ghosh, Pritam; Paul, Suparna; Bhuyan, Samuzal; Bose K, Jagadeesh C.; Mukhopadhyay, Sudit; Banerjee, Priyabrata |
| Journal of publication | Anal. Methods |
| Year of publication | 2017 |
| Journal volume | 9 |
| Journal issue | 1 |
| Pages of publication | 124 |
| a | 14.6959 ± 0.001 Å |
| b | 7.2819 ± 0.0006 Å |
| c | 13.7456 ± 0.001 Å |
| α | 90° |
| β | 94.301 ± 0.005° |
| γ | 90° |
| Cell volume | 1466.83 ± 0.19 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.1002 |
| Residual factor for significantly intense reflections | 0.0558 |
| Weighted residual factors for significantly intense reflections | 0.1594 |
| Weighted residual factors for all reflections included in the refinement | 0.1965 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.018 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301779 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/54 Each referenced PubChem compound corresponds to the full crystal structure. |
1544707.cif |
| 191452 | 2017-02-04 | cif/ Updating files of 1544707 Original log message: Adding full bibliography for 1544707.cif. |
1544707.cif |
| 188824 | 2016-12-02 | cif/ Adding structures of 1544707 via cif-deposit CGI script. |
1544707.cif |
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Users of the data should acknowledge the original authors of the
structural data.