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Information card for entry 7060457
Preview
| Coordinates | 7060457.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C26 H24 B2 F4 N4 Se2 |
|---|---|
| Calculated formula | C26 H24 B2 F4 N4 Se2 |
| Title of publication | Synthesis and triplet sensitization of bis(arylselanyl)BOPHYs; potential application in triplet–triplet annihilation upconversion |
| Authors of publication | Hasegawa, Ryohei; Iwakiri, Shinji; Kubo, Yuji |
| Journal of publication | New Journal of Chemistry |
| Year of publication | 2021 |
| Journal volume | 45 |
| Journal issue | 13 |
| Pages of publication | 6091 - 6099 |
| a | 25.0876 ± 0.0011 Å |
| b | 5.2205 ± 0.0002 Å |
| c | 22.5474 ± 0.0009 Å |
| α | 90° |
| β | 120.386 ± 0.001° |
| γ | 90° |
| Cell volume | 2547.39 ± 0.18 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0255 |
| Residual factor for significantly intense reflections | 0.0254 |
| Weighted residual factors for significantly intense reflections | 0.0603 |
| Weighted residual factors for all reflections included in the refinement | 0.0604 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.171 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301852 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/06/ Each referenced PubChem compound corresponds to the full crystal structure. |
7060457.cif |
| 264920 | 2021-05-05 | cif/ Updating files of 7060457 Original log message: Adding full bibliography for 7060457.cif. |
7060457.cif |
| 263020 | 2021-03-13 | cif/ Adding structures of 7060457 via cif-deposit CGI script. |
7060457.cif |
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Users of the data should acknowledge the original authors of the
structural data.