Information card for entry 7226221
| Formula |
C16 H13 B F2 N2 |
| Calculated formula |
C16 H13 B F2 N2 |
| SMILES |
c1ccc2C(=c3ccc[n]3[B](n12)(F)F)c1ccc(cc1)C |
| Title of publication |
Synthesis, structure, photophysical, electrochemical properties and antibacterial activity of brominated BODIPYs |
| Authors of publication |
Prasannan, Dijo; Raghav, Darpan; Subramaniam, Sujatha; Hareendrakrishna kumar, Haritha; K, Rathinasamy; Arunkumar, Chellaiah |
| Journal of publication |
RSC Adv. |
| Year of publication |
2016 |
| a |
8.0364 ± 0.0003 Å |
| b |
8.0696 ± 0.0004 Å |
| c |
11.0822 ± 0.0005 Å |
| α |
88.549 ± 0.002° |
| β |
84.664 ± 0.002° |
| γ |
71.997 ± 0.002° |
| Cell volume |
680.53 ± 0.05 Å3 |
| Cell temperature |
293 ± 2 K |
| Ambient diffraction temperature |
293 ± 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 |
0.0569 |
| Residual factor for significantly intense reflections |
0.0392 |
| Weighted residual factors for significantly intense reflections |
0.0851 |
| Weighted residual factors for all reflections included in the refinement |
0.1022 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.064 |
| 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/7226221.html
