Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4131995
Preview
| Coordinates | 4131995.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C12 H7 F3 N2 |
|---|---|
| Calculated formula | C12 H7 F3 N2 |
| Title of publication | Field-Induced Antipolar-Polar Structural Transformation and Giant Electrostriction in Organic Crystal. |
| Authors of publication | Kobayashi, Kensuke; Horiuchi, Sachio; Ishibashi, Shoji; Murakami, Youichi; Kumai, Reiji |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2018 |
| Journal volume | 140 |
| Journal issue | 11 |
| Pages of publication | 3842 - 3845 |
| a | 14.047 ± 0.002 Å |
| b | 14.609 ± 0.003 Å |
| c | 10.026 ± 0.001 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2057.5 ± 0.6 Å3 |
| Cell temperature | 300 ± 1 K |
| Ambient diffraction temperature | 300 ± 1 K |
| Number of distinct elements | 4 |
| Space group number | 41 |
| Hermann-Mauguin space group symbol | A e a 2 |
| Hall space group symbol | A 2 -2ab |
| Residual factor for all reflections | 0.0499 |
| Residual factor for significantly intense reflections | 0.037 |
| Weighted residual factors for significantly intense reflections | 0.1095 |
| Weighted residual factors for all reflections included in the refinement | 0.118 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.978 |
| Diffraction radiation wavelength | 0.9991 Å |
| Diffraction radiation type | synchrotron |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 242037 (current) | 2019-11-25 | cif/ Adding structures of 4131995 via cif-deposit CGI script. |
4131995.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.