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Information card for entry 7242395
Preview
| Coordinates | 7242395.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C16 H13 N5 O3 |
|---|---|
| Calculated formula | C16 H13 N5 O3 |
| SMILES | O=C(N/N=C/c1cccc(O)c1O)c1n[nH]c(c2ncccc2)c1 |
| Title of publication | Pyridine-pyrazole based Al(iii) ‘turn on’ sensor for MCF7 cancer cell imaging and detection of picric acid |
| Authors of publication | Saha, Sayan; De, Avik; Ghosh, Arijit; Ghosh, Avik; Bera, Kaushik; Das, Krishna Sundar; Akhtar, Sohel; Maiti, Nakul C.; Das, Abhijit Kumar; Das, Benu Brata; Mondal, Raju |
| Journal of publication | RSC Advances |
| Year of publication | 2021 |
| Journal volume | 11 |
| Journal issue | 17 |
| Pages of publication | 10094 - 10109 |
| a | 15.476 ± 0.009 Å |
| b | 11.366 ± 0.007 Å |
| c | 16.349 ± 0.009 Å |
| α | 90° |
| β | 90.29 ± 0.017° |
| γ | 90° |
| Cell volume | 2876 ± 3 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.114 |
| Residual factor for significantly intense reflections | 0.0635 |
| Weighted residual factors for significantly intense reflections | 0.1599 |
| Weighted residual factors for all reflections included in the refinement | 0.1896 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.116 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301870 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/24/ Each referenced PubChem compound corresponds to the full crystal structure. |
7242395.cif |
| 262991 | 2021-03-11 | cif/ Adding structures of 7242395 via cif-deposit CGI script. |
7242395.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.