Information card for entry 4135074
Formula |
C29 H21 B2 Br2 N |
Calculated formula |
C29 H21 B2 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 |
11.4624 ± 0.0006 Å |
b |
33.3828 ± 0.0016 Å |
c |
7.3003 ± 0.0004 Å |
α |
90° |
β |
118.642 ± 0.004° |
γ |
90° |
Cell volume |
2451.6 ± 0.2 Å3 |
Cell temperature |
173 ± 2 K |
Ambient diffraction temperature |
173 ± 2 K |
Number of distinct elements |
5 |
Space group number |
9 |
Hermann-Mauguin space group symbol |
C 1 c 1 |
Hall space group symbol |
C -2yc |
Residual factor for all reflections |
0.0401 |
Residual factor for significantly intense reflections |
0.0378 |
Weighted residual factors for significantly intense reflections |
0.0964 |
Weighted residual factors for all reflections included in the refinement |
0.0977 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.039 |
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/4135074.html