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Information card for entry 2023248
Preview
Coordinates | 2023248.cif |
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Original IUCr paper | HTML |
Chemical name | Tris[(6-bromopyridin-2-yl)methyl]amine |
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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
structural data.