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Information card for entry 1554569
Preview
| Coordinates | 1554569.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C172 H203 N13 O10 P2 |
|---|---|
| Calculated formula | C172 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 | 21.469 ± 0.004 Å |
| b | 29.096 ± 0.006 Å |
| c | 28.543 ± 0.006 Å |
| α | 90° |
| β | 95.17 ± 0.03° |
| γ | 90° |
| Cell volume | 17757 ± 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 | 0.1761 |
| Residual factor for significantly intense reflections | 0.0712 |
| Weighted residual factors for significantly intense reflections | 0.1519 |
| Weighted residual factors for all reflections included in the refinement | 0.1857 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.828 |
| Diffraction radiation wavelength | 0.7 Å |
| Diffraction radiation type | synchrotron |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 237355 (current) | 2019-11-24 | cif/ Adding structures of 1554569, 1554570 via cif-deposit CGI script. |
1554569.cif |
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Users of the data should acknowledge the original authors of the
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