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Information card for entry 7708771
Preview
| Coordinates | 7708771.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C47.5 H44 B Br2 Cl P2 |
|---|---|
| Calculated formula | C47.5 H44 B Br2 Cl P2 |
| SMILES | [Br-].BrB(C(=P(c1ccccc1)(c1ccccc1)c1ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1)c1c(C)c(cc(c1C)C)C.ClCCl |
| Title of publication | Facile Access to Halogenated Cationic B=C-centered Organoboron Isoelectronic with Alkenyl Halides |
| Authors of publication | Xiang, Libo; Wang, Junyi; Su, Wei; Lin, Zhenyang; Ye, Qing |
| Journal of publication | Dalton Transactions |
| Year of publication | 2021 |
| a | 22.8309 ± 0.0014 Å |
| b | 18.9924 ± 0.0013 Å |
| c | 20.3151 ± 0.0011 Å |
| α | 90° |
| β | 109.757 ± 0.002° |
| γ | 90° |
| Cell volume | 8290.4 ± 0.9 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 6 |
| 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 | 0.0745 |
| Residual factor for significantly intense reflections | 0.0494 |
| Weighted residual factors for significantly intense reflections | 0.1235 |
| Weighted residual factors for all reflections included in the refinement | 0.1329 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.067 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 270586 (current) | 2021-11-11 | cif/ Adding structures of 7708771, 7708772 via cif-deposit CGI script. |
7708771.cif |
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