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Information card for entry 7241934
Preview
| Coordinates | 7241934.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C20 H16 N4 O2 |
|---|---|
| Calculated formula | C20 H16 N4 O2 |
| SMILES | O=C1N(/N=C/c2c(O)cccc2)C(Nc2c1cccc2)c1ncccc1 |
| Title of publication | A novel dihydro phenylquinazolinone-based two-in-one colourimetric chemosensor for nickel(ii), copper(ii) and its copper complex for the fluorescent colourimetric nanomolar detection of the cyanide anion |
| Authors of publication | Sahu, Meman; Manna, Amit Kumar; Chowdhury, Shubhamoy; Patra, Goutam Kumar |
| Journal of publication | RSC Advances |
| Year of publication | 2020 |
| Journal volume | 10 |
| Journal issue | 73 |
| Pages of publication | 44860 - 44875 |
| a | 6.8671 ± 0.0006 Å |
| b | 9.1774 ± 0.0014 Å |
| c | 14.373 ± 0.003 Å |
| α | 108.299 ± 0.017° |
| β | 91.374 ± 0.012° |
| γ | 94.052 ± 0.01° |
| Cell volume | 856.8 ± 0.2 Å3 |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0718 |
| Residual factor for significantly intense reflections | 0.0469 |
| Weighted residual factors for significantly intense reflections | 0.0911 |
| Weighted residual factors for all reflections included in the refinement | 0.1047 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.0492 |
| 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. |
7241934.cif |
| 260112 | 2020-12-23 | cif/ Adding structures of 7241934 via cif-deposit CGI script. |
7241934.cif |
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Users of the data should acknowledge the original authors of the
structural data.