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Information card for entry 2022218
Preview
| Coordinates | 2022218.cif |
|---|---|
| Structure factors | 2022218.hkl |
| Original IUCr paper | HTML |
| Chemical name | Tetrapropylazanium 2,3,7,8-tetracarboxamido-1,4,6,9-tetraoxa-5λ^4^-boraspiro[4.4]nonane |
|---|---|
| Formula | C20 H40 B N5 O8 |
| Calculated formula | C20 H40 B N5 O8 |
| SMILES | O=C(N)[C@@H]1O[B]2(O[C@H]1C(=O)N)O[C@@H](C(=O)N)[C@@H](O2)C(=O)N.[N+](CCC)(CCC)(CCC)CCC |
| Title of publication | Chiral anionic layers in tartramide spiroborate salts and variable solvation for [N<i>R</i>~4~][B(TarNH~2~)~2~] (<i>R</i> = Et, Pr or Bu) |
| Authors of publication | Soecipto, Aristyo; Wong, Lawrence W.-Y.; Sung, Herman H.-Y.; Williams, Ian D. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2020 |
| Journal volume | 76 |
| Journal issue | 7 |
| Pages of publication | 695 - 705 |
| a | 9.72506 ± 0.00016 Å |
| b | 13.58223 ± 0.00015 Å |
| c | 10.4099 ± 0.00017 Å |
| α | 90° |
| β | 116.071 ± 0.002° |
| γ | 90° |
| Cell volume | 1235.11 ± 0.04 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100.15 K |
| Number of distinct elements | 5 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0252 |
| Residual factor for significantly intense reflections | 0.0241 |
| Weighted residual factors for significantly intense reflections | 0.0597 |
| Weighted residual factors for all reflections included in the refinement | 0.0603 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 255156 (current) | 2020-08-07 | cif/ hkl/ Adding structures of 2022218, 2022219, 2022220, 2022221 via cif-deposit CGI script. |
2022218.cif 2022218.hkl |
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Users of the data should acknowledge the original authors of the
structural data.