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Information card for entry 1564680
Preview
| Coordinates | 1564680.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C42 H64 B11 Br N3 O1.5 |
|---|---|
| Calculated formula | C42 H63 B11 Br N3 O1.5 |
| Title of publication | Ring-opening and ring-expansion reactions of carborane-fused borirane |
| Authors of publication | Wang, Hanqiang; Zhang, Jie; Xie, Zuowei |
| Journal of publication | Chemical Science |
| Year of publication | 2021 |
| a | 11.7707 ± 0.0004 Å |
| b | 11.9109 ± 0.0005 Å |
| c | 18.323 ± 0.0008 Å |
| α | 93.83 ± 0.001° |
| β | 94.618 ± 0.001° |
| γ | 105.727 ± 0.001° |
| Cell volume | 2454.15 ± 0.17 Å3 |
| Cell temperature | 175 ± 2 K |
| Ambient diffraction temperature | 175 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0867 |
| Residual factor for significantly intense reflections | 0.0711 |
| Weighted residual factors for significantly intense reflections | 0.2145 |
| Weighted residual factors for all reflections included in the refinement | 0.2292 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.083 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 269187 (current) | 2021-09-18 | cif/ Adding structures of 1564672, 1564673, 1564674, 1564675, 1564676, 1564677, 1564678, 1564679, 1564680 via cif-deposit CGI script. |
1564680.cif |
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Users of the data should acknowledge the original authors of the
structural data.