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Information card for entry 7128517
Preview
| Coordinates | 7128517.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C18 H18 B O P |
|---|---|
| Calculated formula | C18 H18 B O P |
| Title of publication | Ultrashort Hδ+ ··· Hδ- intermolecular distance in a supramolecular system in the solid state |
| Authors of publication | Garcia-Marquez, Alfonso; Frontera, Antonio; Roisnel, Thierry; Gramage-Doria, Rafael |
| Journal of publication | Chemical Communications |
| Year of publication | 2021 |
| a | 18.645 ± 0.003 Å |
| b | 9.6032 ± 0.0015 Å |
| c | 18.583 ± 0.003 Å |
| α | 90° |
| β | 107.6 ± 0.006° |
| γ | 90° |
| Cell volume | 3171.6 ± 0.9 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.1466 |
| Residual factor for significantly intense reflections | 0.1179 |
| Weighted residual factors for significantly intense reflections | 0.28 |
| Weighted residual factors for all reflections included in the refinement | 0.3 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.194 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 266572 (current) | 2021-06-19 | cif/ Adding structures of 7128516, 7128517 via cif-deposit CGI script. |
7128517.cif |
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Users of the data should acknowledge the original authors of the
structural data.