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Information card for entry 7122729
Preview
| Coordinates | 7122729.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C17 H22 B9 N O |
|---|---|
| Calculated formula | C17 H22 B9 N O |
| Title of publication | A facile approach for synthesis of nido-carborane fused oxazoles via one pot deboronation/cyclization of 9-amide-o-carboranes |
| Authors of publication | Zhang, Cai-Yan; Cao, Ke; Xu, Tao-Tao; Wu, Ji; Jiang, Lin-Hai; Yang, Junxiao |
| Journal of publication | Chemical Communications |
| Year of publication | 2018 |
| a | 8.5268 ± 0.0004 Å |
| b | 19.8789 ± 0.0007 Å |
| c | 12.2372 ± 0.0007 Å |
| α | 90° |
| β | 110.129 ± 0.006° |
| γ | 90° |
| Cell volume | 1947.55 ± 0.18 Å3 |
| Cell temperature | 294.13 ± 0.17 K |
| Ambient diffraction temperature | 294.13 ± 0.17 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 | 0.0898 |
| Residual factor for significantly intense reflections | 0.0608 |
| Weighted residual factors for significantly intense reflections | 0.1551 |
| Weighted residual factors for all reflections included in the refinement | 0.1738 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.124 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 212590 (current) | 2018-12-15 | cif/ Adding structures of 7122729 via cif-deposit CGI script. |
7122729.cif |
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Users of the data should acknowledge the original authors of the
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