Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 8107373
Preview
| Coordinates | 8107373.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C17 H11 F O3 |
|---|---|
| Calculated formula | C17 H11 F O3 |
| SMILES | O1C(=CC(=O)c2ccccc12)CC(=O)c1c(F)cccc1 |
| Title of publication | Synthesis and crystal structure of 2-(2-(2-fluorophenyl)-2-oxoethyl)-4H-chromen-4-one, C17H11FO3 |
| Authors of publication | Liu, Yi; Liu, Feng; Chen, Yang; Yan, Xiaolong; Xiao, Tao |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2023 |
| Journal volume | 238 |
| Journal issue | 1 |
| Pages of publication | 129 - 131 |
| a | 9.1987 ± 0.0002 Å |
| b | 17.5458 ± 0.0003 Å |
| c | 8.5802 ± 0.0002 Å |
| α | 90° |
| β | 108.193 ± 0.003° |
| γ | 90° |
| Cell volume | 1315.6 ± 0.05 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0406 |
| Residual factor for significantly intense reflections | 0.0346 |
| Weighted residual factors for significantly intense reflections | 0.111 |
| Weighted residual factors for all reflections included in the refinement | 0.1196 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.001 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 284478 (current) | 2023-06-15 | cif/ Adding structures of 8107373 via cif-deposit CGI script. |
8107373.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.