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Information card for entry 2312535
Preview
| Coordinates | 2312535.cif |
|---|---|
| Original IUCr paper | HTML |
| Formula | C39 H31 Cl8 N7 O2 S3 |
|---|---|
| Calculated formula | C39 H31 Cl8 N7 O2 S3 |
| Title of publication | Supramolecular architectures in multicomponent crystals of imidazole-based drugs and trithiocyanuric acid. |
| Authors of publication | Ben, Anna; Hoelm, Marta; Chęcińska, Lilianna |
| Journal of publication | Acta crystallographica Section B, Structural science, crystal engineering and materials |
| Year of publication | 2024 |
| Journal volume | 80 |
| Journal issue | 4 |
| Pages of publication | 294 - 304 |
| a | 8.7764 ± 0.0003 Å |
| b | 15.8851 ± 0.0006 Å |
| c | 16.5229 ± 0.0006 Å |
| α | 88.869 ± 0.003° |
| β | 80.569 ± 0.003° |
| γ | 74.929 ± 0.003° |
| Cell volume | 2193.6 ± 0.14 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.056 |
| Residual factor for significantly intense reflections | 0.0481 |
| Weighted residual factors for significantly intense reflections | 0.1371 |
| Weighted residual factors for all reflections included in the refinement | 0.1424 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.072 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 293979 (current) | 2024-08-07 | cif/ Updating files of 2312533, 2312534, 2312535 Original log message: Adding full bibliography for 2312533--2312535.cif. |
2312535.cif |
| 292727 | 2024-07-04 | cif/ Adding structures of 2312533, 2312534, 2312535 via cif-deposit CGI script. |
2312535.cif |
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Users of the data should acknowledge the original authors of the
structural data.