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Information card for entry 7249415
Preview
| Coordinates | 7249415.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | Borane-N-benzyl-1-cyclohexylmethanamine |
|---|---|
| Formula | C14 H24 B N |
| Calculated formula | C14 H24 B N |
| Title of publication | TiF<sub>4</sub>-mediated, one-pot, reductive amination of carboxylic acids with borane-ammonia. |
| Authors of publication | Snyder, Madison J.; Alawaed, Abdulkhaliq A.; Li, Chunge; Pacentine, Samantha; Hamann, Henry J.; Ramachandran, P. Veeraraghavan |
| Journal of publication | RSC advances |
| Year of publication | 2024 |
| Journal volume | 14 |
| Journal issue | 42 |
| Pages of publication | 31205 - 31209 |
| a | 8.552 ± 0.002 Å |
| b | 9.056 ± 0.004 Å |
| c | 9.909 ± 0.003 Å |
| α | 68.308 ± 0.01° |
| β | 71.722 ± 0.013° |
| γ | 79.828 ± 0.013° |
| Cell volume | 675.5 ± 0.4 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0698 |
| Residual factor for significantly intense reflections | 0.0467 |
| Weighted residual factors for significantly intense reflections | 0.1199 |
| Weighted residual factors for all reflections included in the refinement | 0.1336 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.048 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 294978 (current) | 2024-10-02 | cif/ Adding structures of 7249415 via cif-deposit CGI script. |
7249415.cif |
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