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Information card for entry 7160443
Preview
| Coordinates | 7160443.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C33 H31 N9 O3 S |
|---|---|
| Calculated formula | C33 H31 N9 O3 S |
| 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 | 11.5089 ± 0.0005 Å |
| b | 10.4369 ± 0.0004 Å |
| c | 12.6459 ± 0.0005 Å |
| α | 90° |
| β | 90.842 ± 0.004° |
| γ | 90° |
| Cell volume | 1518.83 ± 0.11 Å3 |
| Cell temperature | 100 ± 0.1 K |
| Ambient diffraction temperature | 100 ± 0.1 K |
| Number of distinct elements | 5 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0938 |
| Residual factor for significantly intense reflections | 0.0788 |
| Weighted residual factors for significantly intense reflections | 0.2116 |
| Weighted residual factors for all reflections included in the refinement | 0.2337 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| 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. |
7160443.cif |
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Users of the data should acknowledge the original authors of the
structural data.