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Information card for entry 4088115
Preview
| Coordinates | 4088115.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C23 H16 B N |
|---|---|
| Calculated formula | C23 H16 B N |
| SMILES | [n]12ccccc1c1ccccc1[B]12c2c(c3c1cccc3)cccc2 |
| Title of publication | Facile Arylation of Four-Coordinate Boron Halides by Borenium Cation Mediated Boro-desilylation and -destannylation. |
| Authors of publication | Crossley, Daniel L.; Cid, Jessica; Curless, Liam D.; Turner, Michael L.; Ingleson, Michael J. |
| Journal of publication | Organometallics |
| Year of publication | 2015 |
| Journal volume | 34 |
| Journal issue | 24 |
| Pages of publication | 5767 - 5774 |
| a | 13.141 ± 0.0011 Å |
| b | 15.2335 ± 0.0009 Å |
| c | 8.3686 ± 0.0006 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1675.3 ± 0.2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 29 |
| Hermann-Mauguin space group symbol | P c a 21 |
| Hall space group symbol | P 2c -2ac |
| Residual factor for all reflections | 0.0633 |
| Residual factor for significantly intense reflections | 0.0524 |
| Weighted residual factors for significantly intense reflections | 0.1235 |
| Weighted residual factors for all reflections included in the refinement | 0.133 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.102 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 237287 (current) | 2019-11-24 | cif/ Adding structures of 4088115 via cif-deposit CGI script. |
4088115.cif |
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