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Information card for entry 7220908
Preview
| Coordinates | 7220908.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | BODIPY Phenylacetylene Macrocycle |
|---|---|
| Formula | C56 H35 B Cl2 F2 N2 |
| Calculated formula | C56 H35 B Cl2 F2 N2 |
| Title of publication | BODIPY-phenylacetylene macrocycle motifs for enhanced light-harvesting and energy transfer applications |
| Authors of publication | Yousaf, Muhammad; Lough, Alan; Schott, Eduardo; Koivisto, Bryan Douglas |
| Journal of publication | RSC Adv. |
| Year of publication | 2015 |
| a | 12.7852 ± 0.0004 Å |
| b | 13.7533 ± 0.0004 Å |
| c | 25.2899 ± 0.001 Å |
| α | 86.895 ± 0.002° |
| β | 85.724 ± 0.002° |
| γ | 89.541 ± 0.002° |
| Cell volume | 4428 ± 0.3 Å3 |
| Cell temperature | 147 ± 2 K |
| Ambient diffraction temperature | 147 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0928 |
| Residual factor for significantly intense reflections | 0.0672 |
| Weighted residual factors for significantly intense reflections | 0.168 |
| Weighted residual factors for all reflections included in the refinement | 0.1863 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.023 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 139719 (current) | 2015-06-27 | cif/ Adding structures of 7220908 via cif-deposit CGI script. |
7220908.cif |
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