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Information card for entry 1557840
Preview
| Coordinates | 1557840.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C54 H90 Al2 N4 |
|---|---|
| Calculated formula | C54 H90 Al2 N4 |
| SMILES | [Al]1([Al](c2c(cc(cc2C(C)C)C(C)C)C(C)C)(=C2N(C(=C(N2C(C)C)C)C)C(C)C)CC1)(c1c(cc(cc1C(C)C)C(C)C)C(C)C)=C1N(C(=C(N1C(C)C)C)C)C(C)C |
| Title of publication | Dialumenes ‒ aryl vs. silyl stabilisation for small molecule activation and catalysis |
| Authors of publication | Weetman, Catherine; Porzelt, Amelie; Bag, Prasenjit; Hanusch, Franziska; Inoue, Shigeyoshi |
| Journal of publication | Chemical Science |
| Year of publication | 2020 |
| Journal volume | 11 |
| Journal issue | 18 |
| Pages of publication | 4817 - 4827 |
| a | 12.4062 ± 0.001 Å |
| b | 18.1378 ± 0.0016 Å |
| c | 24.62 ± 0.002 Å |
| α | 90° |
| β | 101.846 ± 0.003° |
| γ | 90° |
| Cell volume | 5422 ± 0.8 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0949 |
| Residual factor for significantly intense reflections | 0.0645 |
| Weighted residual factors for significantly intense reflections | 0.1672 |
| Weighted residual factors for all reflections included in the refinement | 0.1923 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.019 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 257388 (current) | 2020-10-06 | cif/ Updating files of 1557836, 1557837, 1557838, 1557839, 1557840, 1557841 Original log message: Adding full bibliography for 1557836--1557841.cif. |
1557840.cif |
| 252739 | 2020-06-05 | cif/ Updating files of 1557836, 1557837, 1557838, 1557839, 1557840, 1557841 Original log message: Adding full bibliography for 1557836--1557841.cif. |
1557840.cif |
| 250995 | 2020-04-22 | cif/ Adding structures of 1557836, 1557837, 1557838, 1557839, 1557840, 1557841 via cif-deposit CGI script. |
1557840.cif |
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Users of the data should acknowledge the original authors of the
structural data.