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Information card for entry 2023248
Preview
| Coordinates | 2023248.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | Tris[(6-bromopyridin-2-yl)methyl]amine |
|---|---|
| Formula | C18 H15 Br3 N4 |
| Calculated formula | C18 H15 Br3 N4 |
| Title of publication | Molecular structure of tris[(6-bromopyridin-2-yl)methyl]amine |
| Authors of publication | Yan, Ran; Dai, Zhaohua; Shlian, Daniel G.; Mitchell, Trinit'y D.; Loo, Aaron; Mulosmani, Kaltrina; Upmacis, Rita K. |
| Journal of publication | Acta Crystallographica Section E Crystallographic Communications |
| Year of publication | 2024 |
| Journal volume | 80 |
| Journal issue | 10 |
| a | 6.2445 ± 0.0008 Å |
| b | 13.2335 ± 0.0016 Å |
| c | 13.4984 ± 0.0016 Å |
| α | 79.168 ± 0.002° |
| β | 88.671 ± 0.002° |
| γ | 78.962 ± 0.002° |
| Cell volume | 1075.2 ± 0.2 Å3 |
| Cell temperature | 180 ± 2 K |
| Ambient diffraction temperature | 180 ± 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 | 0.0884 |
| Residual factor for significantly intense reflections | 0.0452 |
| Weighted residual factors for significantly intense reflections | 0.0984 |
| Weighted residual factors for all reflections included in the refinement | 0.1139 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.016 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 294713 (current) | 2024-09-11 | cif/ Adding structures of 2023248 via cif-deposit CGI script. |
2023248.cif |
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Users of the data should acknowledge the original authors of the
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