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Information card for entry 7160440
Preview
| Coordinates | 7160440.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C31 H25 N9 O2 |
|---|---|
| Calculated formula | C31 H25 N9 O2 |
| Title of publication | Solvatomorphism of a 2,6-pyridyldicarboxamide-based foldamer. |
| Authors of publication | Ozturk, Sena; Davis, Alexander R.; Seaton, Colin C.; Male, Louise; Pike, Sarah J. |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2025 |
| a | 17.5812 ± 0.0001 Å |
| b | 42.4637 ± 0.0002 Å |
| c | 7.0686 ± 0.00005 Å |
| α | 90° |
| β | 95.571 ± 0.001° |
| γ | 90° |
| Cell volume | 5252.23 ± 0.05 Å3 |
| Cell temperature | 100.15 K |
| Ambient diffraction temperature | 100.15 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 | 0.1041 |
| Residual factor for significantly intense reflections | 0.058 |
| Weighted residual factors for significantly intense reflections | 0.1483 |
| Weighted residual factors for all reflections included in the refinement | 0.1615 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.029 |
| Diffraction radiation wavelength | 0.6889 Å |
| Diffraction radiation type | Synchrotron |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 298561 (current) | 2025-03-22 | cif/ Adding structures of 7160437, 7160438, 7160439, 7160440, 7160441, 7160442, 7160443, 7160444 via cif-deposit CGI script. |
7160440.cif |
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Users of the data should acknowledge the original authors of the
structural data.