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Information card for entry 7056250
Preview
| Coordinates | 7056250.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C26 H16 N4 O4 |
|---|---|
| Calculated formula | C26 H16 N4 O4 |
| SMILES | c12C(=O)N(Cc3ccncc3)C(=O)c3c1c1c(C(=O)N(Cc4ccncc4)C(=O)c1cc2)cc3 |
| 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 | 22.76 ± 0.008 Å |
| b | 4.6927 ± 0.0012 Å |
| c | 21.335 ± 0.008 Å |
| α | 90° |
| β | 115.96 ± 0.05° |
| γ | 90° |
| Cell volume | 2048.8 ± 1.5 Å3 |
| Cell temperature | 373 ± 2 K |
| Ambient diffraction temperature | 373 ± 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 | 0.1265 |
| Residual factor for significantly intense reflections | 0.0888 |
| Weighted residual factors for significantly intense reflections | 0.2442 |
| Weighted residual factors for all reflections included in the refinement | 0.2899 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.074 |
| 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. |
7056250.cif |
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Users of the data should acknowledge the original authors of the
structural data.