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Information card for entry 4032067
Preview
| Coordinates | 4032067.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C18.5 H37 N7 O7.5 |
|---|---|
| Calculated formula | C18.5 H37 N7 O7.5 |
| Title of publication | Construction of bis-, tris- and tetrahydrazones by addition of azoalkenes to amines and ammonia |
| Authors of publication | Semakin, Artem N.; Kokuev, Aleksandr O.; Nelyubina, Yulia V.; Sukhorukov, Alexey Yu; Zhmurov, Petr A.; Ioffe, Sema L.; Tartakovsky, Vladimir A. |
| Journal of publication | Beilstein Journal of Organic Chemistry |
| Year of publication | 2016 |
| Journal volume | 12 |
| Pages of publication | 2471 |
| a | 14.325 ± 0.002 Å |
| b | 12.234 ± 0.002 Å |
| c | 29.447 ± 0.005 Å |
| α | 90° |
| β | 102.398 ± 0.004° |
| γ | 90° |
| Cell volume | 5040.3 ± 1.4 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 | 0.2222 |
| Residual factor for significantly intense reflections | 0.0897 |
| Weighted residual factors for significantly intense reflections | 0.2017 |
| Weighted residual factors for all reflections included in the refinement | 0.2715 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.055 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301828 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/03/ Each referenced PubChem compound corresponds to the full crystal structure. |
4032067.cif |
| 188616 | 2016-11-22 | cif/ Adding structures of 4032067 via cif-deposit CGI script. |
4032067.cif |
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Users of the data should acknowledge the original authors of the
structural data.