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Information card for entry 7123720
Preview
| Coordinates | 7123720.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C41 H57 B20 Cl3 |
|---|---|
| Calculated formula | C41 H57 B20 Cl3 |
| 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 | 17.596 ± 0.005 Å |
| b | 11.332 ± 0.003 Å |
| c | 25.121 ± 0.007 Å |
| α | 90° |
| β | 106.586 ± 0.004° |
| γ | 90° |
| Cell volume | 4801 ± 2 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.081 |
| Residual factor for significantly intense reflections | 0.0564 |
| Weighted residual factors for significantly intense reflections | 0.1391 |
| Weighted residual factors for all reflections included in the refinement | 0.1564 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.022 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| 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. |
7123720.cif |
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Users of the data should acknowledge the original authors of the
structural data.