Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2300647
Preview
| Coordinates | 2300647.cif |
|---|---|
| Structure factors | 2300647.hkl |
| Original paper (by DOI) | HTML |
| Common name | Vitamin C |
|---|---|
| Chemical name | L-ascorbic acid |
| 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 | 6.4196 ± 0.0002 Å |
| b | 6.3619 ± 0.0003 Å |
| c | 17.1568 ± 0.0006 Å |
| α | 90° |
| β | 99.356 ± 0.003° |
| γ | 90° |
| Cell volume | 691.38 ± 0.05 Å3 |
| Cell temperature | 292.36 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 | 0.0883 |
| Residual factor for significantly intense reflections | 0.0436 |
| Weighted residual factors for significantly intense reflections | 0.0714 |
| Weighted residual factors for all reflections included in the refinement | 0.0828 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.96 |
| 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. |
2300647.cif 2300647.hkl |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.