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Information card for entry 1550211
Preview
| Coordinates | 1550211.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C23 H26 B F2 N O4 |
|---|---|
| Calculated formula | C23 H26 B F2 N O4 |
| SMILES | F[B]1(F)OC(=CC(=[O]1)c1ccc(cc1)C(=O)N[C@H](CCCC)C)c1ccc(OC)cc1 |
| Title of publication | Mechano-responsive circularly polarized luminescence of organic solid-state chiral emitters |
| Authors of publication | Louis, Marine; Sethy, Ramarani; Kumar, Jatish; Katao, Shouhei; Guillot, Régis; Nakashima, Takuya; Allain, Clémence; Kawai, Tsuyoshi; Métivier, Rémi |
| Journal of publication | Chemical Science |
| Year of publication | 2019 |
| a | 10.235 ± 0.002 Å |
| b | 10.796 ± 0.002 Å |
| c | 20.224 ± 0.005 Å |
| α | 92.916 ± 0.007° |
| β | 103.825 ± 0.007° |
| γ | 90.9 ± 0.006° |
| Cell volume | 2166.2 ± 0.8 Å3 |
| Cell temperature | 123 K |
| Ambient diffraction temperature | 123 K |
| Number of distinct elements | 6 |
| Space group number | 1 |
| Hermann-Mauguin space group symbol | P 1 |
| Hall space group symbol | P 1 |
| Residual factor for all reflections | 0.2796 |
| Residual factor for significantly intense reflections | 0.1338 |
| Weighted residual factors for significantly intense reflections | 0.3003 |
| Weighted residual factors for all reflections included in the refinement | 0.3931 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.956 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 211872 (current) | 2018-11-10 | cif/ Adding structures of 1550210, 1550211 via cif-deposit CGI script. |
1550211.cif |
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Users of the data should acknowledge the original authors of the
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