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Information card for entry 1546532
Preview
| Coordinates | 1546532.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C56 H74 N21 O11 P2 |
|---|---|
| Calculated formula | C56 H74 N21 O11 P2 |
| Title of publication | Efficient stabilisation of a dihydrogenphosphate tetramer and a dihydrogenpyrophosphate dimer by a cyclic pseudopeptide containing 1,4-disubstituted 1,2,3-triazole moieties |
| Authors of publication | Mungalpara, Disha; Valkonen, Arto; Rissanen, Kari; Kubik, Stefan |
| Journal of publication | Chem. Sci. |
| Year of publication | 2017 |
| a | 28.3369 ± 0.0004 Å |
| b | 28.3369 ± 0.0004 Å |
| c | 58.9056 ± 0.0013 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 40963 ± 1.2 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 150 |
| Hermann-Mauguin space group symbol | P 3 2 1 |
| Hall space group symbol | P 3 2" |
| Residual factor for all reflections | 0.1571 |
| Residual factor for significantly intense reflections | 0.1378 |
| Weighted residual factors for significantly intense reflections | 0.3698 |
| Weighted residual factors for all reflections included in the refinement | 0.3929 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.355 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 198705 (current) | 2017-07-14 | cif/ Adding structures of 1546532, 1546533, 1546534, 1546535 via cif-deposit CGI script. |
1546532.cif |
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Users of the data should acknowledge the original authors of the
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