Information card for entry 7700051
| Chemical name |
mesoBDPCarb |
| Formula |
C31 H34 B F2 N3 |
| Calculated formula |
C31 H34 B F2 N3 |
| Title of publication |
Modulating absorption and charge transfer in bodipy-carbazole donor-acceptor dyads through molecular design. |
| Authors of publication |
Strahan, John; Popere, Bhooshan C.; Khomein, Piyachai; Pointer, Craig A.; Martin, Shea M.; Oldacre, Amanda N.; Thayumanavan, S.; Young, Elizabeth R. |
| Journal of publication |
Dalton transactions (Cambridge, England : 2003) |
| Year of publication |
2019 |
| Journal volume |
48 |
| Journal issue |
23 |
| Pages of publication |
8488 - 8501 |
| a |
10.053 ± 0.004 Å |
| b |
11.375 ± 0.004 Å |
| c |
12.746 ± 0.006 Å |
| α |
111.34 ± 0.02° |
| β |
105.576 ± 0.018° |
| γ |
90.796 ± 0.016° |
| Cell volume |
1297.6 ± 1 Å3 |
| Cell temperature |
150 K |
| Ambient diffraction temperature |
150 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 |
0.0677 |
| Residual factor for significantly intense reflections |
0.0446 |
| Weighted residual factors for significantly intense reflections |
0.1034 |
| Weighted residual factors for all reflections included in the refinement |
0.1158 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.0396 |
| 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/7700051.html
