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Information card for entry 2312724
Preview
| Coordinates | 2312724.cif |
|---|---|
| Original IUCr paper | HTML |
| Common name | L-Histidine monochloride monohydrate |
|---|---|
| Formula | C6 H12 Cl N3 O3 |
| Calculated formula | C6 H12 Cl N3 O3 |
| Title of publication | How to use DIALS to process chemical crystallography 3D ED rotation data from pixel array detectors. |
| Authors of publication | Vypritskaia, Angelina; Zou, Xiaodong; Yang, Taimin; Waterman, David Geoffrey |
| Journal of publication | Acta crystallographica. Section C, Structural chemistry |
| Year of publication | 2025 |
| Journal volume | 81 |
| Journal issue | 1 |
| a | 6.7936 ± 0.0003 Å |
| b | 8.8294 ± 0.0004 Å |
| c | 15.1621 ± 0.001 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 909.47 ± 0.08 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.1484 |
| Residual factor for significantly intense reflections | 0.1231 |
| Weighted residual factors for significantly intense reflections | 0.3116 |
| Weighted residual factors for all reflections included in the refinement | 0.3221 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.121 |
| Diffraction radiation wavelength | 0.0251 Å |
| Diffraction radiation type | electrons |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 296734 (current) | 2024-12-07 | cif/ Adding structures of 2312723, 2312724, 2312725 via cif-deposit CGI script. |
2312724.cif |
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Users of the data should acknowledge the original authors of the
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