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Information card for entry 7056249
Preview
| Coordinates | 7056249.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C26 H16 N4 O6 |
|---|---|
| Calculated formula | C26 H20 N4 O6 |
| SMILES | C1(=O)c2ccc3c4c(C(=O)N(Cc5ccncc5)C3=O)ccc(c24)C(=O)N1Cc1ccncc1.O.O |
| Title of publication | Supramolecular structural transformation of N, N´-bis(4-pyridylmethyl)-naphthalene diimide and fluorescence water sensing |
| Authors of publication | Li, Guo-bi; Yang, Qing Yuan; Pan, Rongkai; Liu, Sheng-Gui; xu, yaowei |
| Journal of publication | New J. Chem. |
| Year of publication | 2017 |
| a | 27.561 ± 0.003 Å |
| b | 4.6812 ± 0.0002 Å |
| c | 21.646 ± 0.004 Å |
| α | 90° |
| β | 128.914 ± 0.017° |
| γ | 90° |
| Cell volume | 2173 ± 0.7 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 | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0383 |
| Residual factor for significantly intense reflections | 0.0366 |
| Weighted residual factors for significantly intense reflections | 0.1021 |
| Weighted residual factors for all reflections included in the refinement | 0.1045 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 197025 (current) | 2017-05-29 | cif/ Adding structures of 7056248, 7056249, 7056250 via cif-deposit CGI script. |
7056249.cif |
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Users of the data should acknowledge the original authors of the
structural data.