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Information card for entry 1554985
Preview
| Coordinates | 1554985.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C25 H22 B11 Cl6 N |
|---|---|
| Calculated formula | C25 H22 B11 Cl6 N |
| Title of publication | Peraryl-X-onium ions of nitrogen and oxygen |
| Authors of publication | Lu, Mengsi; Allemann, Oliver; Xu, Jun; Linden, Anthony; Baldridge, Kim K.; Siegel, Jay S. |
| Journal of publication | Organic Chemistry Frontiers |
| Year of publication | 2019 |
| Journal volume | 6 |
| Journal issue | 15 |
| Pages of publication | 2640 |
| a | 18.70332 ± 0.00019 Å |
| b | 18.4574 ± 0.0003 Å |
| c | 18.4002 ± 0.00017 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 6352.02 ± 0.14 Å3 |
| Cell temperature | 160 ± 2 K |
| Ambient diffraction temperature | 160.15 K |
| Number of distinct elements | 5 |
| Space group number | 60 |
| Hermann-Mauguin space group symbol | P b c n |
| Hall space group symbol | -P 2n 2ab |
| Residual factor for all reflections | 0.0396 |
| Residual factor for significantly intense reflections | 0.0307 |
| Weighted residual factors for significantly intense reflections | 0.0779 |
| Weighted residual factors for all reflections included in the refinement | 0.0833 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.024 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 238253 (current) | 2019-11-24 | cif/ Adding structures of 1554983, 1554984, 1554985, 1554986, 1554987 via cif-deposit CGI script. |
1554985.cif |
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Users of the data should acknowledge the original authors of the
structural data.