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Information card for entry 7247535
Preview
| Coordinates | 7247535.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C15 H16 I N2 O2 |
|---|---|
| Calculated formula | C15 H16 I N2 O2 |
| Title of publication | Self-assembly of iodoacetylenyl-substituted nitronyl nitroxides via halogen bonding |
| Authors of publication | Shurikov, Matvey K.; Tretyakov, Evgeny V.; Petunin, Pavel V.; Votkina, Darya E.; Romanenko, Galina V.; Bogomyakov, Artem S.; Burguera, Sergi; Frontera, Antonio; Kukushkin, Vadim Yu.; Postnikov, Pavel S. |
| Journal of publication | CrystEngComm |
| Year of publication | 2023 |
| Journal volume | 25 |
| Journal issue | 44 |
| Pages of publication | 6152 - 6161 |
| a | 9.7329 ± 0.0016 Å |
| b | 12.393 ± 0.002 Å |
| c | 14.382 ± 0.002 Å |
| α | 78.384 ± 0.009° |
| β | 72.269 ± 0.009° |
| γ | 72.195 ± 0.009° |
| Cell volume | 1562 ± 0.4 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 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 | 0.0792 |
| Residual factor for significantly intense reflections | 0.0413 |
| Weighted residual factors for significantly intense reflections | 0.0775 |
| Weighted residual factors for all reflections included in the refinement | 0.0901 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.893 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 288777 (current) | 2024-01-06 | cif/ Updating files of 7247534, 7247535 Original log message: Adding full bibliography for 7247534--7247535.cif. |
7247535.cif |
| 287061 | 2023-10-21 | cif/ Adding structures of 7247534, 7247535 via cif-deposit CGI script. |
7247535.cif |
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Users of the data should acknowledge the original authors of the
structural data.