Information card for entry 7715978
| Formula |
C45 H28 B2 N3 |
| Calculated formula |
C45 H28 B2 N3 |
| Title of publication |
Borylation and rearrangement reactions of azasilaanthracenes to afford B,N-doped nanographenes |
| Authors of publication |
Zender, Elena; Valverde, Danillo; Neubaur, Robert; Karger, Sebastian; Virovets, Alexander; Bolte, Michael; Lerner, Hans-Wolfram; Olivier, Yoann; Wagner, Matthias |
| Journal of publication |
Dalton Transactions |
| Year of publication |
2024 |
| a |
12.53928 ± 0.0001 Å |
| b |
13.09723 ± 0.0001 Å |
| c |
20.87428 ± 0.00018 Å |
| α |
104.878 ± 0.0007° |
| β |
102.068 ± 0.0007° |
| γ |
103.795 ± 0.0007° |
| Cell volume |
3081.36 ± 0.05 Å3 |
| Cell temperature |
100 ± 2 K |
| Ambient diffraction temperature |
100 ± 2 K |
| Number of distinct elements |
4 |
| Space group number |
2 |
| Hermann-Mauguin space group symbol |
P -1 |
| Hall space group symbol |
-P 1 |
| Residual factor for all reflections |
0.048 |
| Residual factor for significantly intense reflections |
0.0446 |
| Weighted residual factors for significantly intense reflections |
0.1319 |
| Weighted residual factors for all reflections included in the refinement |
0.1351 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.061 |
| Diffraction radiation probe |
x-ray |
| Diffraction radiation wavelength |
0.5 Å |
| Diffraction radiation type |
synchrotron |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
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