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Information card for entry 7123719
Preview
| Coordinates | 7123719.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H32 B10 O4 |
|---|---|
| Calculated formula | C20 H32 B10 O4 |
| Title of publication | Icosahedral carboranes as scaffolds for congested regioselective polyaryl compounds. The distinct distance tuning of C-C and its antipodal B-B. |
| Authors of publication | Vinas, Clara; Kelemen, Zsolt; Pepiol, Ariadna; Lupu, Marius; Sillanpää, Reijo; Hänninen, Mikko; Teixidor, Francesc |
| Journal of publication | Chemical Communications |
| Year of publication | 2019 |
| a | 13.0593 ± 0.0007 Å |
| b | 13.3337 ± 0.0006 Å |
| c | 16.6231 ± 0.0009 Å |
| α | 95.7 ± 0.004° |
| β | 110.824 ± 0.005° |
| γ | 111.529 ± 0.004° |
| Cell volume | 2427.2 ± 0.3 Å3 |
| Cell temperature | 123 ± 2 K |
| Ambient diffraction temperature | 123 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0739 |
| Residual factor for significantly intense reflections | 0.0617 |
| Weighted residual factors for significantly intense reflections | 0.1679 |
| Weighted residual factors for all reflections included in the refinement | 0.1817 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.048 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 216535 (current) | 2019-06-26 | cif/ Adding structures of 7123717, 7123718, 7123719, 7123720, 7123721 via cif-deposit CGI script. |
7123719.cif |
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Users of the data should acknowledge the original authors of the
structural data.