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Information card for entry 7121763
Preview
| Coordinates | 7121763.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C57 H43 B F20 N O2 P |
|---|---|
| Calculated formula | C57 H43 B F20 N O2 P |
| Title of publication | Ambiphilic geometrically constrained phosphenium cation. |
| Authors of publication | Volodarsky, Solomon; Dobrovetsky, Roman |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2018 |
| Journal volume | 54 |
| Journal issue | 50 |
| Pages of publication | 6931 - 6934 |
| a | 12.7541 ± 0.0003 Å |
| b | 13.627 ± 0.0003 Å |
| c | 17.1282 ± 0.0004 Å |
| α | 100.157 ± 0.001° |
| β | 95.562 ± 0.001° |
| γ | 112.012 ± 0.001° |
| Cell volume | 2672.94 ± 0.11 Å3 |
| Cell temperature | 110 ± 2 K |
| Ambient diffraction temperature | 110 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0686 |
| Residual factor for significantly intense reflections | 0.0471 |
| Weighted residual factors for significantly intense reflections | 0.1301 |
| Weighted residual factors for all reflections included in the refinement | 0.1556 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.019 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301860 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/12/ Each referenced PubChem compound corresponds to the full crystal structure. |
7121763.cif |
| 228305 | 2019-11-17 | cif/ Updating files of 7121763 Original log message: Adding full bibliography for 7121763.cif. |
7121763.cif |
| 207995 | 2018-05-28 | cif/ Adding structures of 7121763 via cif-deposit CGI script. |
7121763.cif |
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Users of the data should acknowledge the original authors of the
structural data.