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Information card for entry 1560766
Preview
| Coordinates | 1560766.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C42 H22 N2 O4 |
|---|---|
| Calculated formula | C42 H22 N2 O4 |
| SMILES | c1(ccc(cc1)C#Cc1ccc2ccc3c(c2c1)c1c2c(ccc4ccc(C#Cc5ccc(cc5)N(=O)=O)cc24)ccc1cc3)N(=O)=O |
| Title of publication | Achieving high circularly polarized luminescence with push‒pull helicenic systems: from rationalized design to top-emission CP-OLED applications |
| Authors of publication | Dhbaibi, Kais; Abella, Laura; Meunier-Della-Gatta, Sylvia; Roisnel, Thierry; Vanthuyne, Nicolas; Jamoussi, Bassem; Pieters, Grégory; Racine, Benoît; Quesnel, Etienne; Autschbach, Jochen; Crassous, Jeanne; Favereau, Ludovic |
| Journal of publication | Chemical Science |
| Year of publication | 2021 |
| Journal volume | 12 |
| Journal issue | 15 |
| Pages of publication | 5522 - 5533 |
| a | 18.9074 ± 0.0008 Å |
| b | 9.4843 ± 0.0005 Å |
| c | 18.9118 ± 0.0009 Å |
| α | 90° |
| β | 97.294 ± 0.002° |
| γ | 90° |
| Cell volume | 3363.9 ± 0.3 Å3 |
| Cell temperature | 150 K |
| Ambient diffraction temperature | 150 K |
| Number of distinct elements | 4 |
| 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 | 0.0809 |
| Residual factor for significantly intense reflections | 0.063 |
| Weighted residual factors for significantly intense reflections | 0.175 |
| Weighted residual factors for all reflections included in the refinement | 0.1921 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.999 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 265931 (current) | 2021-06-05 | cif/ Updating files of 1560765, 1560766, 1560767 Original log message: Adding full bibliography for 1560765--1560767.cif. |
1560766.cif |
| 262367 | 2021-03-03 | cif/ Adding structures of 1560765, 1560766, 1560767 via cif-deposit CGI script. |
1560766.cif |
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Users of the data should acknowledge the original authors of the
structural data.