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Information card for entry 4129314
Preview
| Coordinates | 4129314.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C28 H12 Br4 O3 |
|---|---|
| Calculated formula | C28 H12 Br4 O3 |
| Title of publication | Molecular motion, dielectric response, and phase transition of charge-transfer crystals: acquired dynamic and dielectric properties of polar molecules in crystals. |
| Authors of publication | Harada, Jun; Ohtani, Masaki; Takahashi, Yukihiro; Inabe, Tamotsu |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2015 |
| Journal volume | 137 |
| Journal issue | 13 |
| Pages of publication | 4477 - 4486 |
| a | 7.7233 ± 0.0003 Å |
| b | 9.1834 ± 0.0003 Å |
| c | 9.1909 ± 0.0003 Å |
| α | 66.702 ± 0.001° |
| β | 84.439 ± 0.001° |
| γ | 73.064 ± 0.001° |
| Cell volume | 572.63 ± 0.03 Å3 |
| Cell temperature | 300 K |
| Ambient diffraction temperature | 300 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 | 0.0539 |
| Residual factor for significantly intense reflections | 0.0494 |
| Weighted residual factors for significantly intense reflections | 0.1518 |
| Weighted residual factors for all reflections included in the refinement | 0.1558 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.09 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 240053 (current) | 2019-11-25 | cif/ Adding structures of 4129308, 4129309, 4129310, 4129311, 4129312, 4129313, 4129314, 4129315, 4129316, 4129317, 4129318 via cif-deposit CGI script. |
4129314.cif |
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Users of the data should acknowledge the original authors of the
structural data.