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Information card for entry 7158056
Preview
| Coordinates | 7158056.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C24 H8 B F10 N O |
|---|---|
| Calculated formula | C24 H8 B F10 N O |
| SMILES | Fc1c(F)c(F)c(B(N2c3ccccc3Oc3c2cccc3)c2c(F)c(F)c(F)c(F)c2F)c(F)c1F |
| Title of publication | The synthesis, properties, and reactivity of Lewis acidic aminoboranes. |
| Authors of publication | Bentley, Jordan N.; Simoes, Selvyn A.; Pradhan, Ekadashi; Zeng, Tao; Caputo, Christopher B. |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2021 |
| Journal volume | 19 |
| Journal issue | 21 |
| Pages of publication | 4796 - 4802 |
| a | 9.4685 ± 0.0005 Å |
| b | 12.8091 ± 0.0007 Å |
| c | 17.304 ± 0.001 Å |
| α | 90° |
| β | 92.621 ± 0.002° |
| γ | 90° |
| Cell volume | 2096.5 ± 0.2 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0497 |
| Residual factor for significantly intense reflections | 0.0392 |
| Weighted residual factors for significantly intense reflections | 0.1006 |
| Weighted residual factors for all reflections included in the refinement | 0.108 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.041 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301861 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/15/ Each referenced PubChem compound corresponds to the full crystal structure. |
7158056.cif |
| 266177 | 2021-06-05 | cif/ Updating files of 7158056, 7158057, 7158058, 7158059, 7158060 Original log message: Adding full bibliography for 7158056--7158060.cif. |
7158056.cif |
| 265034 | 2021-05-07 | cif/ Adding structures of 7158056, 7158057, 7158058, 7158059, 7158060 via cif-deposit CGI script. |
7158056.cif |
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Users of the data should acknowledge the original authors of the
structural data.