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Information card for entry 7156875
Preview
| Coordinates | 7156875.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C12 H25 Cl2 N5 |
|---|---|
| Calculated formula | C12 H25 Cl2 N5 |
| Title of publication | Triaminopyrimidine derivatives as transmembrane HCl transporters |
| Authors of publication | Kocsis, Istvan Zsolt; Motloch, Petr; Guerreiro, Ana; Qiu Mexia De Azeredo, Carolina; Bernardes, Gonçalo J. L.; Hunter, Christopher Alexander |
| Journal of publication | Organic & Biomolecular Chemistry |
| Year of publication | 2019 |
| a | 17.722 ± 0.0006 Å |
| b | 17.722 ± 0.0006 Å |
| c | 28.3433 ± 0.0014 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 8901.8 ± 0.6 Å3 |
| Cell temperature | 220 ± 2 K |
| Ambient diffraction temperature | 220 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 88 |
| Hermann-Mauguin space group symbol | I 41/a |
| Hall space group symbol | -I 4ad |
| Residual factor for all reflections | 0.1176 |
| Residual factor for significantly intense reflections | 0.074 |
| Weighted residual factors for significantly intense reflections | 0.1971 |
| Weighted residual factors for all reflections included in the refinement | 0.2281 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.063 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 215344 (current) | 2019-05-21 | cif/ Adding structures of 7156874, 7156875 via cif-deposit CGI script. |
7156875.cif |
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Users of the data should acknowledge the original authors of the
structural data.