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Information card for entry 7227328
Preview
| Coordinates | 7227328.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C11 H7 N O6 |
|---|---|
| Calculated formula | C11 H7 N O6 |
| SMILES | O1c2c(C=C(C1=O)C(=O)OC)cc(cc2)N(=O)=O |
| Title of publication | Packing-induced solid-state fluorescence and thermochromic behavior of peptidic luminophores |
| Authors of publication | Pramanik, Apurba; Haldar, Debasish |
| Journal of publication | RSC Adv. |
| Year of publication | 2017 |
| Journal volume | 7 |
| Journal issue | 1 |
| Pages of publication | 389 |
| a | 20.178 ± 0.002 Å |
| b | 4.0966 ± 0.0004 Å |
| c | 25.538 ± 0.002 Å |
| α | 90° |
| β | 99.66 ± 0.009° |
| γ | 90° |
| Cell volume | 2081.1 ± 0.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | I 1 2/a 1 |
| Hall space group symbol | -I 2ya |
| Residual factor for all reflections | 0.0844 |
| Residual factor for significantly intense reflections | 0.0641 |
| Weighted residual factors for significantly intense reflections | 0.1602 |
| Weighted residual factors for all reflections included in the refinement | 0.1721 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.153 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301865 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/22/ Each referenced PubChem compound corresponds to the full crystal structure. |
7227328.cif |
| 189382 | 2016-12-24 | cif/ Adding structures of 7227328, 7227329, 7227330 via cif-deposit CGI script. |
7227328.cif |
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Users of the data should acknowledge the original authors of the
structural data.