Information card for entry 4135073
| Formula |
C19 H15 Br2 N |
| Calculated formula |
C19 H15 Br2 N |
| Title of publication |
BNB-Doped Phenalenyls: Modular Synthesis, Optoelectronic Properties, and One-Electron Reduction. |
| Authors of publication |
Scholz, Alexander Stefan; Massoth, Julian; Bursch, Markus; Mewes, Jan; Hetzke, Thilo; Wolf, Bernd; Bolte, Michael; Lerner, Hans-Wolfram; Grimme, Stefan; Wagner, Matthias |
| Journal of publication |
Journal of the American Chemical Society |
| Year of publication |
2020 |
| a |
7.4924 ± 0.0009 Å |
| b |
9.6174 ± 0.0012 Å |
| c |
11.9767 ± 0.0016 Å |
| α |
95.305 ± 0.011° |
| β |
101.49 ± 0.01° |
| γ |
103.923 ± 0.01° |
| Cell volume |
811.88 ± 0.19 Å3 |
| Cell temperature |
173 ± 2 K |
| Ambient diffraction temperature |
173 ± 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 |
0.1105 |
| Residual factor for significantly intense reflections |
0.0822 |
| Weighted residual factors for significantly intense reflections |
0.1612 |
| Weighted residual factors for all reflections included in the refinement |
0.1689 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.382 |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
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https://www.crystallography.net/4135073.html
