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Information card for entry 4345771
Preview
| Coordinates | 4345771.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C36 H56 Al N4 O1.5 |
|---|---|
| Calculated formula | C36 H56 Al N4 O1.5 |
| SMILES | [Al@H]1([O]=C2N(CCN2C)C)N(C(=CC(=C)N1c1c(cccc1C(C)C)C(C)C)C)c1c(cccc1C(C)C)C(C)C.O(CC)CC |
| Title of publication | Unusual Reactions of NacNacAl with Urea and Phosphine Oxides |
| Authors of publication | Chu, Terry; Vyboishchikov, Sergei F.; Gabidullin, Bulat M.; Nikonov, Georgii I. |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2017 |
| a | 8.9776 ± 0.0018 Å |
| b | 35.496 ± 0.007 Å |
| c | 11.535 ± 0.002 Å |
| α | 90° |
| β | 98.931 ± 0.002° |
| γ | 90° |
| Cell volume | 3631.3 ± 1.2 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 2 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 | 0.0802 |
| Residual factor for significantly intense reflections | 0.0517 |
| Weighted residual factors for significantly intense reflections | 0.1169 |
| Weighted residual factors for all reflections included in the refinement | 0.1316 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.989 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 253039 (current) | 2020-06-09 | Fixing Z values and formulae |
4345771.cif |
| 195932 | 2017-05-04 | cif/ Adding structures of 4345771 via cif-deposit CGI script. |
4345771.cif |
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