Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2108285
Preview
| Coordinates | 2108285.cif |
|---|---|
| Structure factors | 2108285.hkl |
| Original IUCr paper | HTML |
| Formula | C14 H8 F3 O |
|---|---|
| Calculated formula | C14 H8 F3 O |
| Title of publication | Crystal packing control of a trifluoromethyl-substituted furan/phenylene co-oligomer |
| Authors of publication | Sonina, Alina A.; Koskin, Igor P.; Sherin, Peter S.; Rybalova, Tatyana V.; Shundrina, Inna K.; Mostovich, Evgeny A.; Kazantsev, Maxim S. |
| Journal of publication | Acta Crystallographica Section B |
| Year of publication | 2018 |
| Journal volume | 74 |
| Journal issue | 5 |
| a | 23.238 ± 0.004 Å |
| b | 7.5293 ± 0.0011 Å |
| c | 6.2437 ± 0.0009 Å |
| α | 90° |
| β | 92.83 ± 0.006° |
| γ | 90° |
| Cell volume | 1091.1 ± 0.3 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 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 | 0.0838 |
| Residual factor for significantly intense reflections | 0.0424 |
| Weighted residual factors for significantly intense reflections | 0.0796 |
| Weighted residual factors for all reflections included in the refinement | 0.0925 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.046 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 211082 (current) | 2018-09-20 | cif/ hkl/ Adding structures of 2108285, 2108286, 2108287 via cif-deposit CGI script. |
2108285.cif 2108285.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.