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Information card for entry 7060263
Preview
| Coordinates | 7060263.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C16 H16 N2 O6 |
|---|---|
| Calculated formula | C16 H16 N2 O6 |
| Title of publication | A highly efficient solution and solid state ESIPT fluorophore and its OLED application |
| Authors of publication | Trannoy, Virgile; Léaustic, Anne; Gadan, Sophie; Guillot, Régis; Allain, Clémence; Clavier, Gilles; Mazerat, Sandra; Geffroy, Bernard; Yu, Pei |
| Journal of publication | New Journal of Chemistry |
| Year of publication | 2021 |
| Journal volume | 45 |
| Journal issue | 6 |
| Pages of publication | 3014 - 3021 |
| a | 16.3814 ± 0.0006 Å |
| b | 11.6206 ± 0.0005 Å |
| c | 8.1169 ± 0.0003 Å |
| α | 90° |
| β | 102.453 ± 0.002° |
| γ | 90° |
| Cell volume | 1508.79 ± 0.1 Å3 |
| Cell temperature | 100 ± 1 K |
| Ambient diffraction temperature | 100 ± 1 K |
| Number of distinct elements | 4 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0597 |
| Residual factor for significantly intense reflections | 0.0415 |
| Weighted residual factors for significantly intense reflections | 0.1122 |
| Weighted residual factors for all reflections included in the refinement | 0.1249 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.06 |
| 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 |
|---|---|---|---|
| 301852 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/06/ Each referenced PubChem compound corresponds to the full crystal structure. |
7060263.cif |
| 262686 | 2021-03-05 | cif/ Updating files of 7060263 Original log message: Adding full bibliography for 7060263.cif. |
7060263.cif |
| 260876 | 2021-01-09 | cif/ Adding structures of 7060263 via cif-deposit CGI script. |
7060263.cif |
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Users of the data should acknowledge the original authors of the
structural data.