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Information card for entry 7721072
Preview
| Coordinates | 7721072.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C16 H14 N2 O4 |
|---|---|
| Calculated formula | C16 H14 N2 O4 |
| Title of publication | Crystallographic and Theoretical Insights into a Fluorogenic Turn-On Probe for Selective Fe³⁺ Detection with Biomolecular Binding and In Vitro Anticancer Studies |
| Authors of publication | Shinziya, Hazeena; Das, Avijit Kumar; Suresh, Sahana; Brandão, Paula; Saha, Urmila; Karan, Gouri; Choudhury, Sujata Maiti; Dolai, Malay |
| Journal of publication | Dalton Transactions |
| Year of publication | 2026 |
| a | 4.4771 ± 0.0002 Å |
| b | 23.9266 ± 0.0013 Å |
| c | 13.2809 ± 0.0007 Å |
| α | 90° |
| β | 93.512 ± 0.002° |
| γ | 90° |
| Cell volume | 1420 ± 0.12 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 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 | 0.071 |
| Residual factor for significantly intense reflections | 0.0619 |
| Weighted residual factors for significantly intense reflections | 0.161 |
| Weighted residual factors for all reflections included in the refinement | 0.1678 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.158 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
Version history
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Users of the data should acknowledge the original authors of the
structural data.