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Information card for entry 1554570
Preview
| Coordinates | 1554570.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Chemical name | Inverted_pyridine_heptamer |
|---|---|
| Formula | C173 H203 N13 O10 P2 |
| Calculated formula | C173 H203 N13 O10 P2 |
| Title of publication | Encapsulation of dihydrogenphosphate ions as a cyclic dimer to the cavities of site-specifically modified indolocarbazole-pyridine foldamers |
| Authors of publication | Lee, Chaeeun; Lee, Hyemi; Lee, Seungwon; Jeon, Hae-Geun; Jeong, Kyu-Sung |
| Journal of publication | Organic Chemistry Frontiers |
| Year of publication | 2019 |
| Journal volume | 6 |
| Journal issue | 3 |
| Pages of publication | 299 |
| a | 21.505 ± 0.004 Å |
| b | 29.114 ± 0.006 Å |
| c | 28.751 ± 0.006 Å |
| α | 90° |
| β | 94.83 ± 0.03° |
| γ | 90° |
| Cell volume | 17937 ± 6 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 5 |
| 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 | 0.1314 |
| Residual factor for significantly intense reflections | 0.0904 |
| Weighted residual factors for significantly intense reflections | 0.2576 |
| Weighted residual factors for all reflections included in the refinement | 0.2822 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.017 |
| Diffraction radiation wavelength | 0.7 Å |
| Diffraction radiation type | synchrotron |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301780 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 1/55 Each referenced PubChem compound corresponds to the full crystal structure. |
1554570.cif |
| 237355 | 2019-11-24 | cif/ Adding structures of 1554569, 1554570 via cif-deposit CGI script. |
1554570.cif |
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Users of the data should acknowledge the original authors of the
structural data.