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Information card for entry 7126645
Preview
| Coordinates | 7126645.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | (E)-3-((E)-3-(4-((4'-(bis(4-methoxyphenyl)amino)-[1,1'-biphenyl]-4-yl)methyl)piperazin-1-yl)-1,3-diphenylallylidene)-1-tosylindolin-2-one |
|---|---|
| Formula | C61 H54 N4 O5 S |
| Calculated formula | C61 H54 N4 O5 S |
| SMILES | O=C1N(S(=O)(=O)c2ccc(cc2)C)c2c(/C1=C(/c1ccccc1)\C=C(\N1CCN(CC1)Cc1ccc(cc1)c1ccc(N(c3ccc(OC)cc3)c3ccc(OC)cc3)cc1)c1ccccc1)cccc2 |
| Title of publication | One-pot synthesis of a white-light emissive bichromophore operated by aggregation-induced dual emission (AIDE) and partial energy transfer. |
| Authors of publication | Denißen, Melanie; Hannen, Ricarda; Itskalov, Dana; Biesen, Lukas; Nirmalananthan-Budau, Nithiya; Hoffmann, Katrin; Reiss, Guido J.; Resch-Genger, Ute; Müller, Thomas J J |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2020 |
| Journal volume | 56 |
| Journal issue | 54 |
| Pages of publication | 7407 - 7410 |
| a | 41.915 ± 0.003 Å |
| b | 9.9907 ± 0.0009 Å |
| c | 26.883 ± 0.002 Å |
| α | 90° |
| β | 116.974 ± 0.005° |
| γ | 90° |
| Cell volume | 10032.9 ± 1.4 Å3 |
| Cell temperature | 292 ± 2 K |
| Ambient diffraction temperature | 292 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0775 |
| Residual factor for significantly intense reflections | 0.0485 |
| Weighted residual factors for significantly intense reflections | 0.1032 |
| Weighted residual factors for all reflections included in the refinement | 0.1169 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.096 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 254919 (current) | 2020-08-06 | cif/ Updating files of 7126645 Original log message: Adding full bibliography for 7126645.cif. |
7126645.cif |
| 252954 | 2020-06-06 | cif/ Adding structures of 7126645 via cif-deposit CGI script. |
7126645.cif |
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