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Information card for entry 4035872
Preview
| Coordinates | 4035872.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H24 B2 Br5 F4 N8 |
|---|---|
| Calculated formula | C20 H24 B2 Br5 F4 N8 |
| Title of publication | Polybrominated BOPHY Dyes: Synthesis, Reactivity, and Properties. |
| Authors of publication | Lv, Xiaokang; Li, Tingting; Wu, Qinghua; Yu, Changjiang; Jiao, Lijuan; Hao, Erhong |
| Journal of publication | The Journal of organic chemistry |
| Year of publication | 2018 |
| Journal volume | 83 |
| Journal issue | 3 |
| Pages of publication | 1134 - 1145 |
| a | 6.275 ± 0.005 Å |
| b | 10.748 ± 0.008 Å |
| c | 11.424 ± 0.009 Å |
| α | 79.967 ± 0.009° |
| β | 85.892 ± 0.009° |
| γ | 85.819 ± 0.01° |
| Cell volume | 755.3 ± 1 Å3 |
| Cell temperature | 293.15 K |
| Ambient diffraction temperature | 293.15 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0757 |
| Residual factor for significantly intense reflections | 0.0454 |
| Weighted residual factors for significantly intense reflections | 0.1001 |
| Weighted residual factors for all reflections included in the refinement | 0.1138 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.0194 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 227283 (current) | 2019-11-11 | cif/ Adding structures of 4035871, 4035872, 4035873, 4035874, 4035875 via cif-deposit CGI script. |
4035872.cif |
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Users of the data should acknowledge the original authors of the
structural data.