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Information card for entry 7064360
Preview
| Coordinates | 7064360.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C5 H15 B10 N S |
|---|---|
| Calculated formula | C5 H15 B10 N S |
| Title of publication | Carborane isothiocyanates: synthesis, characterization and conjugation with N-nucleophiles |
| Authors of publication | Alpatova, Victoria M.; Rys, Evgeny G.; Smol’yakov, Alexander F.; Kononova, Elena G.; Ol'shevskaya, Valentina A. |
| Journal of publication | New Journal of Chemistry |
| Year of publication | 2026 |
| Journal volume | 50 |
| Journal issue | 14 |
| Pages of publication | 6197 - 6204 |
| a | 15.4827 ± 0.0006 Å |
| b | 7.5722 ± 0.0003 Å |
| c | 21.84 ± 0.0008 Å |
| α | 90° |
| β | 94.311 ± 0.002° |
| γ | 90° |
| Cell volume | 2553.24 ± 0.17 Å3 |
| Cell temperature | 120 K |
| Ambient diffraction temperature | 120 K |
| Number of distinct elements | 5 |
| Space group number | 13 |
| Hermann-Mauguin space group symbol | P 1 2/n 1 |
| Hall space group symbol | -P 2yac |
| Residual factor for all reflections | 0.0561 |
| Residual factor for significantly intense reflections | 0.038 |
| Weighted residual factors for significantly intense reflections | 0.1175 |
| Weighted residual factors for all reflections included in the refinement | 0.1248 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.123 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|
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Users of the data should acknowledge the original authors of the
structural data.