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Information card for entry 4129540
Preview
| Coordinates | 4129540.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 | 8.0816 ± 0.0007 Å |
| b | 10.1745 ± 0.0008 Å |
| c | 11.9752 ± 0.0009 Å |
| α | 67.764 ± 0.007° |
| β | 71.133 ± 0.008° |
| γ | 71.903 ± 0.008° |
| Cell volume | 842.32 ± 0.13 Å3 |
| 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 | 0.073 |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 295995 (current) | 2024-11-19 | Renamed data items '_geom_angle_atom_site_symbol_1', '_geom_angle_atom_site_symbol_2', '_geom_angle_atom_site_symbol_3', '_geom_bond_atom_site_symbol_1', '_geom_bond_atom_site_symbol_2', to '_geom_angle_atom_site_label_1', '_geom_angle_atom_site_label_2', '_geom_angle_atom_site_label_3', '_geom_bond_atom_site_label_1', '_geom_bond_atom_site_label_2' respectively. |
4129540.cif |
| 240243 | 2019-11-25 | cif/ Adding structures of 4129540 via cif-deposit CGI script. |
4129540.cif |
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Users of the data should acknowledge the original authors of the
structural data.