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Information card for entry 7712365
Preview
| Coordinates | 7712365.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C12 H25 B2 P S |
|---|---|
| Calculated formula | C12 H25 B2 P S |
| SMILES | [S](C)(C)[BH2][P@](C(C)(C)C)(c1ccccc1)[BH3] |
| Title of publication | Reactivity of triphosphinoboranes towards H3B∙SMe2: Access to derivatives of boraphosphacycloalkanes with diversified substituents |
| Authors of publication | Ordyszewska, Anna; Chojnacki, Jarosław; Grubba, Rafał |
| Journal of publication | Dalton Transactions |
| Year of publication | 2023 |
| a | 7.7997 ± 0.0013 Å |
| b | 10.8175 ± 0.0017 Å |
| c | 18.377 ± 0.004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1550.5 ± 0.5 Å3 |
| Cell temperature | 120 ± 2 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 | 0.063 |
| Residual factor for significantly intense reflections | 0.0529 |
| Weighted residual factors for significantly intense reflections | 0.1372 |
| Weighted residual factors for all reflections included in the refinement | 0.1426 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.062 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 281087 (current) | 2023-02-22 | cif/ Adding structures of 7712363, 7712364, 7712365, 7712366, 7712367, 7712368 via cif-deposit CGI script. |
7712365.cif |
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Users of the data should acknowledge the original authors of the
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