Information card for entry 7715979
| Formula |
C53 H38 B3 Cl6 N3 |
| Calculated formula |
C53 H38 B3 Cl6 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 |
12.7063 ± 0.0009 Å |
| b |
13.7794 ± 0.0011 Å |
| c |
15.4494 ± 0.0012 Å |
| α |
114.175 ± 0.008° |
| β |
101.129 ± 0.006° |
| γ |
103.186 ± 0.007° |
| Cell volume |
2274.3 ± 0.4 Å3 |
| Cell temperature |
100 ± 2 K |
| Ambient diffraction temperature |
100 ± 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 |
0.088 |
| Residual factor for significantly intense reflections |
0.0799 |
| Weighted residual factors for significantly intense reflections |
0.2399 |
| Weighted residual factors for all reflections included in the refinement |
0.2472 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.058 |
| Diffraction radiation probe |
x-ray |
| Diffraction radiation wavelength |
0.5 Å |
| Diffraction radiation type |
synchrotron |
| Has coordinates |
Yes |
| Has disorder |
Yes |
| Has Fobs |
No |
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https://www.crystallography.net/7715979.html
