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Information card for entry 7226221
Preview
| Coordinates | 7226221.cif |
|---|---|
| Original paper (by DOI) | HTML |
| 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 |
| Revision | Date | Message | Files |
|---|---|---|---|
| 185749 (current) | 2016-08-11 | cif/ Adding structures of 7226218, 7226219, 7226220, 7226221, 7226222 via cif-deposit CGI script. |
7226221.cif |
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Users of the data should acknowledge the original authors of the
structural data.