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Information card for entry 1558061
Preview
| Coordinates | 1558061.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | Cp3taluminol |
|---|---|
| Formula | C29 H49 Al |
| Calculated formula | C29 H49 Al |
| SMILES | [Al]12345(C(=C(C(=C1CC)CC)CC)CC)[c]1([c]2([cH]5[c]3([cH]41)C(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 | 9.335 ± 0.004 Å |
| b | 16.672 ± 0.009 Å |
| c | 17.185 ± 0.007 Å |
| α | 90° |
| β | 93.88 ± 0.03° |
| γ | 90° |
| Cell volume | 2668 ± 2 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 3 |
| 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 | 0.104 |
| Residual factor for significantly intense reflections | 0.0636 |
| Weighted residual factors for significantly intense reflections | 0.1535 |
| Weighted residual factors for all reflections included in the refinement | 0.1767 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.015 |
| 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. |
1558061.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. |
1558061.cif |
| 252067 | 2020-05-16 | cif/ Adding structures of 1558058, 1558059, 1558060, 1558061, 1558062, 1558063 via cif-deposit CGI script. |
1558061.cif |
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Users of the data should acknowledge the original authors of the
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