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Information card for entry 7226561
Preview
| Coordinates | 7226561.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | etp-terpyridine |
|---|---|
| Chemical name | etptpy |
| Formula | C36 H27 N3 O2 |
| Calculated formula | C36 H27 N3 O2 |
| SMILES | n1ccccc1c1nc(cc(c1)c1ccc(cc1)c1ccc(cc1)c1ccc(cc1)C(=O)OCC)c1ncccc1 |
| Title of publication | Lattice interactions of terpyridines and their derivatives – free terpyridines and their protonated forms |
| Authors of publication | Lee, Young Hoon; Kim, Jee Young; Kim, Yang; Hayami, Shinya; Shin, Jong Won; Harrowfield, Jack; Stefankiewicz, Artur R. |
| Journal of publication | CrystEngComm |
| Year of publication | 2016 |
| Journal volume | 18 |
| Journal issue | 41 |
| Pages of publication | 8059 |
| a | 22.883 ± 0.005 Å |
| b | 8.352 ± 0.0017 Å |
| c | 14.445 ± 0.003 Å |
| α | 90° |
| β | 106.61 ± 0.03° |
| γ | 90° |
| Cell volume | 2645.5 ± 1 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0563 |
| Residual factor for significantly intense reflections | 0.0499 |
| Weighted residual factors for significantly intense reflections | 0.1422 |
| Weighted residual factors for all reflections included in the refinement | 0.148 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.063 |
| Diffraction radiation wavelength | 0.7 Å |
| Diffraction radiation type | Synchrotron |
| 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. |
7226561.cif |
| 188079 | 2016-11-08 | cif/ Updating files of 7226560, 7226561, 7226562, 7226563 Original log message: Adding full bibliography for 7226560--7226563.cif. |
7226561.cif |
| 186586 | 2016-09-16 | cif/ Adding structures of 7226560, 7226561, 7226562, 7226563 via cif-deposit CGI script. |
7226561.cif |
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Users of the data should acknowledge the original authors of the
structural data.