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Information card for entry 1577479
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| Coordinates | 1577479.cif |
|---|---|
| Original IUCr paper | HTML |
| Common name | Carnosinium bromide |
|---|---|
| Chemical name | 5-[(2<i>S</i>)-2-(3-Azaniumylpropanamido)-2-carboxylatoethyl]-1<i>H</i>-imidazol-3-ium bromide |
| Formula | C9 H15 Br N4 O3 |
| Calculated formula | C9 H15 Br N4 O3 |
| Title of publication | Carnosinium bromide. |
| Authors of publication | Hamilton, Fiona; Harrison, William T. A. |
| Journal of publication | IUCrData |
| Year of publication | 2026 |
| Journal volume | 11 |
| Journal issue | Pt 7 |
| Pages of publication | x260726 |
| a | 5.46611 ± 0.00013 Å |
| b | 28.6332 ± 0.0005 Å |
| c | 16.289 ± 0.0004 Å |
| α | 90° |
| β | 90.012 ± 0.002° |
| γ | 90° |
| Cell volume | 2549.43 ± 0.1 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 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 | 0.0364 |
| Residual factor for significantly intense reflections | 0.0352 |
| Weighted residual factors for significantly intense reflections | 0.0912 |
| Weighted residual factors for all reflections included in the refinement | 0.092 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.056 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 306808 (current) | 2026-08-29 | cif/ Adding structures of 1577479 via cif-deposit CGI script. |
1577479.cif |
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