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Information card for entry 4035299
Preview
| Coordinates | 4035299.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C26 H6 B2 Br2 F18 O S2 |
|---|---|
| Calculated formula | C26 H6 B2 Br2 F18 O S2 |
| Title of publication | An Air-Stable Organoboron Compound, Dithienooxadiborepine: Preparation and Functionalization. |
| Authors of publication | Yan, Qifan; Yin, Mengxuan; Chen, Cheng; Zhang, Yuankun |
| Journal of publication | The Journal of organic chemistry |
| Year of publication | 2018 |
| Journal volume | 83 |
| Journal issue | 16 |
| Pages of publication | 9096 - 9102 |
| a | 11.7222 ± 0.0005 Å |
| b | 15.869 ± 0.0006 Å |
| c | 17.8469 ± 0.0007 Å |
| α | 90° |
| β | 107.107 ± 0.001° |
| γ | 90° |
| Cell volume | 3173 ± 0.2 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 7 |
| 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 | 0.0719 |
| Residual factor for significantly intense reflections | 0.048 |
| Weighted residual factors for significantly intense reflections | 0.115 |
| Weighted residual factors for all reflections included in the refinement | 0.1329 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.02 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 226763 (current) | 2019-11-11 | cif/ Adding structures of 4035299 via cif-deposit CGI script. |
4035299.cif |
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Users of the data should acknowledge the original authors of the
structural data.