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Information card for entry 1574810
Preview
| Coordinates | 1574810.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C90 H114 B2 N4 O4 |
|---|---|
| Calculated formula | C90 H114 B2 N4 O4 |
| Title of publication | Carbene-stabilized 6,12-Diborananthracenes: Unveiling the Multistage Redox Properties of Polycyclic Aromatic Hydrocarbons Featuring Electron-Rich Boron Centers |
| Authors of publication | Su, Bochao; Wang, Yuyi; Shi, Tao; Yue, Ling; Zhou, Guijiang |
| Journal of publication | Chemical Science |
| Year of publication | 2025 |
| a | 11.1662 ± 0.0005 Å |
| b | 11.7494 ± 0.0006 Å |
| c | 15.5317 ± 0.0008 Å |
| α | 71.647 ± 0.002° |
| β | 84.332 ± 0.002° |
| γ | 88.761 ± 0.002° |
| Cell volume | 1924.5 ± 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 | 0.1228 |
| Residual factor for significantly intense reflections | 0.0847 |
| Weighted residual factors for significantly intense reflections | 0.2291 |
| Weighted residual factors for all reflections included in the refinement | 0.2634 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.055 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 299982 (current) | 2025-06-06 | cif/ Adding structures of 1574804, 1574805, 1574806, 1574807, 1574808, 1574809, 1574810, 1574811, 1574812 via cif-deposit CGI script. |
1574810.cif |
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Users of the data should acknowledge the original authors of the
structural data.