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Information card for entry 7234994
Preview
| Coordinates | 7234994.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C31 H36 K N O4 |
|---|---|
| Calculated formula | C31 H36 K N O4 |
| Title of publication | The structural diversity of heterocycle-fused potassium cyclopentadienides |
| Authors of publication | Nifant'ev, Ilya E.; Vinogradov, Alexander A.; Minyaev, Mikhail E.; Komarov, Pavel D.; Lyssenko, Konstantin A.; Birin, Kirill P.; Dyadchenko, Viktor P.; Ivchenko, Pavel V. |
| Journal of publication | RSC Advances |
| Year of publication | 2019 |
| Journal volume | 9 |
| Journal issue | 50 |
| Pages of publication | 29195 |
| a | 9.4637 ± 0.0012 Å |
| b | 11.0911 ± 0.0015 Å |
| c | 13.9898 ± 0.0017 Å |
| α | 74.333 ± 0.003° |
| β | 89.812 ± 0.003° |
| γ | 81.725 ± 0.003° |
| Cell volume | 1398.2 ± 0.3 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0888 |
| Residual factor for significantly intense reflections | 0.0576 |
| Weighted residual factors for significantly intense reflections | 0.1361 |
| Weighted residual factors for all reflections included in the refinement | 0.1567 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.03 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301866 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/23/ Each referenced PubChem compound corresponds to the full crystal structure. |
7234994.cif |
| 223459 | 2019-11-07 | cif/ Adding structures of 7234992, 7234993, 7234994, 7234995 via cif-deposit CGI script. |
7234994.cif |
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Users of the data should acknowledge the original authors of the
structural data.