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Information card for entry 7056248
Preview
| Coordinates | 7056248.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C26 H16 N4 O4 |
|---|---|
| Calculated formula | C26 H16 N4 O4 |
| SMILES | c1cnccc1CN1C(=O)c2c3c(C1=O)ccc1C(=O)N(Cc4ccncc4)C(=O)c(c31)cc2 |
| 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 | 5.588 ± 0.003 Å |
| b | 7.545 ± 0.004 Å |
| c | 11.984 ± 0.006 Å |
| α | 77.113 ± 0.011° |
| β | 88.392 ± 0.013° |
| γ | 87.412 ± 0.012° |
| Cell volume | 491.9 ± 0.4 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0669 |
| Residual factor for significantly intense reflections | 0.0456 |
| Weighted residual factors for significantly intense reflections | 0.1067 |
| Weighted residual factors for all reflections included in the refinement | 0.1164 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.001 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| 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. |
7056248.cif |
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Users of the data should acknowledge the original authors of the
structural data.