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Information card for entry 4129541
Preview
| Coordinates | 4129541.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C23 H13 B F4 O |
|---|---|
| Calculated formula | C23 H13 B F4 O |
| Title of publication | Electronically Stabilized Nonplanar Phenalenyl Radical and Its Planar Isomer. |
| Authors of publication | Anamimoghadam, Ommid; Symes, Mark D.; Long, De-Liang; Sproules, Stephen; Cronin, Leroy; Bucher, Götz |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2015 |
| Journal volume | 137 |
| Journal issue | 47 |
| Pages of publication | 14944 - 14951 |
| a | 7.1692 ± 0.0008 Å |
| b | 8.6347 ± 0.0011 Å |
| c | 13.9776 ± 0.0015 Å |
| α | 86.021 ± 0.006° |
| β | 77.85 ± 0.006° |
| γ | 86.143 ± 0.006° |
| Cell volume | 842.62 ± 0.17 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.085 |
| Residual factor for significantly intense reflections | 0.0668 |
| Weighted residual factors for significantly intense reflections | 0.1666 |
| Weighted residual factors for all reflections included in the refinement | 0.1816 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.048 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 240244 (current) | 2019-11-25 | cif/ Adding structures of 4129541 via cif-deposit CGI script. |
4129541.cif |
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Users of the data should acknowledge the original authors of the
structural data.