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Information card for entry 1549231
Preview
| Coordinates | 1549231.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | Triamterene, adipic acid and DMSO |
|---|---|
| Chemical name | Triamterenium adipate, DMSO solvate |
| Formula | C34 H44 N14 O6 S2 |
| Calculated formula | C34 H44 N14 O6 S2 |
| Title of publication | Structural studies of crystalline forms of triamterene with carboxylic acid, GRAS and API molecules |
| Authors of publication | Rehman, Abida; Delori, Amit; Hughes, David S.; Jones, William |
| Journal of publication | IUCrJ |
| Year of publication | 2018 |
| Journal volume | 5 |
| Journal issue | 3 |
| a | 11.0286 ± 0.0003 Å |
| b | 13.7429 ± 0.0004 Å |
| c | 14.9742 ± 0.0005 Å |
| α | 115.247 ± 0.002° |
| β | 109.951 ± 0.004° |
| γ | 90.122 ± 0.002° |
| Cell volume | 1900.25 ± 0.12 Å3 |
| Cell temperature | 180 ± 2 K |
| Ambient diffraction temperature | 180 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1007 |
| Residual factor for significantly intense reflections | 0.0729 |
| Weighted residual factors for significantly intense reflections | 0.1727 |
| Weighted residual factors for all reflections included in the refinement | 0.1911 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.022 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 207260 (current) | 2018-04-07 | cif/ Adding structures of 1549229, 1549230, 1549231, 1549232, 1549233, 1549234, 1549235 via cif-deposit CGI script. |
1549231.cif |
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