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Information card for entry 2300648
Preview
| Coordinates | 2300648.cif |
|---|---|
| Structure factors | 2300648.hkl |
| Original paper (by DOI) | HTML |
| Formula | C6 H8 O6 |
|---|---|
| Calculated formula | C6 H8 O6 |
| SMILES | OC[C@H](O)[C@H]1OC(=O)C(=C1O)O |
| Title of publication | Reducing the background of ultra-low-temperature X-ray diffraction data through new methods and advanced materials |
| Authors of publication | McMonagle, Charles James; Probert, Michael Richard |
| Journal of publication | Journal of Applied Crystallography |
| Year of publication | 2019 |
| Journal volume | 52 |
| Journal issue | 2 |
| Pages of publication | 445 - 450 |
| a | 6.4259 ± 0.0012 Å |
| b | 6.3637 ± 0.0012 Å |
| c | 17.168 ± 0.004 Å |
| α | 90° |
| β | 99.368 ± 0.015° |
| γ | 90° |
| Cell volume | 692.7 ± 0.2 Å3 |
| Cell temperature | 292 ± 2 K |
| Ambient diffraction temperature | 292.36 K |
| Number of distinct elements | 3 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0953 |
| Residual factor for significantly intense reflections | 0.0623 |
| Weighted residual factors for significantly intense reflections | 0.1491 |
| Weighted residual factors for all reflections included in the refinement | 0.1692 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.031 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 214447 (current) | 2019-04-02 | cif/ hkl/ Adding structures of 2300646, 2300647, 2300648 via cif-deposit CGI script. |
2300648.cif 2300648.hkl |
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Users of the data should acknowledge the original authors of the
structural data.