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Information card for entry 4129311
Preview
| Coordinates | 4129311.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H18 Br4 O3 |
|---|---|
| Calculated formula | C20 H18 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 | 9.0493 ± 0.0007 Å |
| b | 13.3796 ± 0.001 Å |
| c | 9.3465 ± 0.0007 Å |
| α | 90° |
| β | 118.359 ± 0.0009° |
| γ | 90° |
| Cell volume | 995.83 ± 0.13 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 4 |
| Space group number | 11 |
| Hermann-Mauguin space group symbol | P 1 21/m 1 |
| Hall space group symbol | -P 2yb |
| Residual factor for all reflections | 0.0163 |
| Residual factor for significantly intense reflections | 0.015 |
| Weighted residual factors for significantly intense reflections | 0.0391 |
| Weighted residual factors for all reflections included in the refinement | 0.0396 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.076 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| 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. |
4129311.cif |
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Users of the data should acknowledge the original authors of the
structural data.