Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 8106407
Preview
| Coordinates | 8106407.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | 8-(trifluoromethyl)imidazo[1,2-<i>a</i>]pyridine-3-carbaldehyde, |
|---|---|
| Formula | C9 H5 F3 N2 O |
| Calculated formula | C9 H5 F3 N2 O |
| Title of publication | Crystal structure of 8-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carbaldehyde, C9H5F3N2O |
| Authors of publication | You, Gui-Rong; Rao, Guo-Wu |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2018 |
| Journal volume | 233 |
| Journal issue | 6 |
| Pages of publication | 1081 - 1082 |
| a | 7.276 ± 0.002 Å |
| b | 6.7773 ± 0.0019 Å |
| c | 17.613 ± 0.005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 868.5 ± 0.4 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 62 |
| Hermann-Mauguin space group symbol | P n m a |
| Hall space group symbol | -P 2ac 2n |
| Residual factor for all reflections | 0.0443 |
| Residual factor for significantly intense reflections | 0.0399 |
| Weighted residual factors for significantly intense reflections | 0.1079 |
| Weighted residual factors for all reflections included in the refinement | 0.1122 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.068 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 279910 (current) | 2022-12-15 | cif/ Adding structures of 8106407 via cif-deposit CGI script. |
8106407.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.