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Information card for entry 7714260
Preview
| Coordinates | 7714260.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C21 H12 B F9 O3 |
|---|---|
| Calculated formula | C21 H12 B F9 O3 |
| SMILES | O(B(Oc1ccccc1C(F)(F)F)Oc1ccccc1C(F)(F)F)c1ccccc1C(F)(F)F |
| Title of publication | Reactivity of a series of triaryl borates, B(OArx)3, in hydroboration catalysis |
| Authors of publication | Sokolnicki, Tomasz; Alharbi, Mashael; van Ingen, Yara; Rahim, Shahnaz; Pramanik, Milan; Roldan, Alberto; Walkowiak, Jedrzej; Melen, Rebecca |
| Journal of publication | Dalton Transactions |
| Year of publication | 2023 |
| a | 15.1659 ± 0.0003 Å |
| b | 10.0959 ± 0.0002 Å |
| c | 14.2062 ± 0.0003 Å |
| α | 90° |
| β | 93.945 ± 0.002° |
| γ | 90° |
| Cell volume | 2170.01 ± 0.08 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0541 |
| Residual factor for significantly intense reflections | 0.042 |
| Weighted residual factors for significantly intense reflections | 0.1153 |
| Weighted residual factors for all reflections included in the refinement | 0.1289 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.043 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 287064 (current) | 2023-10-21 | cif/ Adding structures of 7714259, 7714260 via cif-deposit CGI script. |
7714260.cif |
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Users of the data should acknowledge the original authors of the
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