Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 8106795
Preview
| Coordinates | 8106795.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C13 H9 N O5 |
|---|---|
| Calculated formula | C13 H9 N O5 |
| Title of publication | Crystal structure of 5-(4-carboxyphenoxy)-nicotinic acid, C13H9NO5 |
| Authors of publication | Du, Xi-Gang; Wang, Chun-Wei |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2016 |
| Journal volume | 231 |
| Journal issue | 1 |
| Pages of publication | 93 - 95 |
| a | 7.6228 ± 0.0012 Å |
| b | 10.5401 ± 0.0016 Å |
| c | 14.669 ± 0.002 Å |
| α | 94.801 ± 0.002° |
| β | 91.188 ± 0.002° |
| γ | 105.664 ± 0.002° |
| Cell volume | 1129.7 ± 0.3 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0532 |
| Residual factor for significantly intense reflections | 0.0382 |
| Weighted residual factors for significantly intense reflections | 0.0963 |
| Weighted residual factors for all reflections included in the refinement | 0.1072 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.024 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 281209 (current) | 2023-03-01 | cif/ Adding structures of 8106795 via cif-deposit CGI script. |
8106795.cif |
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.