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Information card for entry 7064358
Preview
| Coordinates | 7064358.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C3 H11 B10 N S |
|---|---|
| Calculated formula | C3 H11 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 | 6.9714 ± 0.0004 Å |
| b | 10.8737 ± 0.0007 Å |
| c | 14.1939 ± 0.0008 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1075.97 ± 0.11 Å3 |
| Cell temperature | 120 K |
| Ambient diffraction temperature | 120 K |
| Number of distinct elements | 5 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0315 |
| Residual factor for significantly intense reflections | 0.0291 |
| Weighted residual factors for significantly intense reflections | 0.078 |
| Weighted residual factors for all reflections included in the refinement | 0.0789 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.08 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
Version history
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Users of the data should acknowledge the original authors of the
structural data.