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Information card for entry 1558058
Preview
| Coordinates | 1558058.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | MesN3 |
|---|---|
| Formula | C38 H60 Al N3 |
| Calculated formula | C38 H60 Al N3 |
| SMILES | [Al]123456([N](=NN2c2c(cc(cc2C)C)C)C(=C(C(=C1CC)CC)CC)CC)[c]1([cH]4[c]3([cH]5[c]61C(C)(C)C)C(C)(C)C)C(C)(C)C |
| Title of publication | Ring expansion of alumoles with organic azides: selective formation of six-membered aluminum-nitrogen heterocycles. |
| Authors of publication | Drescher, Regina; Lin, Shujuan; Hofmann, Alexander; Lenczyk, Carsten; Kachel, Stephanie; Krummenacher, Ivo; Lin, Zhenyang; Braunschweig, Holger |
| Journal of publication | Chemical science |
| Year of publication | 2020 |
| Journal volume | 11 |
| Journal issue | 21 |
| Pages of publication | 5559 - 5564 |
| a | 10.236 ± 0.0015 Å |
| b | 32.92 ± 0.005 Å |
| c | 10.7797 ± 0.0014 Å |
| α | 90° |
| β | 105.178 ± 0.005° |
| γ | 90° |
| Cell volume | 3505.7 ± 0.9 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.0465 |
| Residual factor for significantly intense reflections | 0.0405 |
| Weighted residual factors for significantly intense reflections | 0.1037 |
| Weighted residual factors for all reflections included in the refinement | 0.1083 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.031 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 256049 (current) | 2020-09-06 | cif/ Updating files of 1558058, 1558059, 1558060, 1558061, 1558062, 1558063 Original log message: Adding full bibliography for 1558058--1558063.cif. |
1558058.cif |
| 252748 | 2020-06-05 | cif/ Updating files of 1558058, 1558059, 1558060, 1558061, 1558062, 1558063 Original log message: Adding full bibliography for 1558058--1558063.cif. |
1558058.cif |
| 252067 | 2020-05-16 | cif/ Adding structures of 1558058, 1558059, 1558060, 1558061, 1558062, 1558063 via cif-deposit CGI script. |
1558058.cif |
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Users of the data should acknowledge the original authors of the
structural data.