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Information card for entry 7235028
Preview
| Coordinates | 7235028.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C56 H45 Cl2 N3 O2 S |
|---|---|
| Calculated formula | C56 H42 Cl2 N3 O2 S |
| Title of publication | Mechanochromic asymmetric sulfone derivatives for use in efficient blue organic light-emitting diodes |
| Authors of publication | Guang Li; Juewen Zhao; Dan Zhang; Zhichun Shi; Zelin Zhu; Huanquan Song; Jieji Zhu; Silu Tao; Feng Lu; Qingxiao Tong |
| Journal of publication | Journal of Materials Chemistry C |
| Year of publication | 2016 |
| Journal volume | 4 |
| Pages of publication | 8787 - 8794 |
| a | 10.1994 ± 0.0003 Å |
| b | 10.2834 ± 0.0004 Å |
| c | 23.9507 ± 0.0008 Å |
| α | 84.458 ± 0.003° |
| β | 79.792 ± 0.003° |
| γ | 72.903 ± 0.003° |
| Cell volume | 2360.4 ± 0.15 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.123 |
| Residual factor for significantly intense reflections | 0.0995 |
| Weighted residual factors for significantly intense reflections | 0.2945 |
| Weighted residual factors for all reflections included in the refinement | 0.3217 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.046 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 227670 (current) | 2019-11-12 | cif/ Adding structures of 7235028, 7235029 via cif-deposit CGI script. |
7235028.cif |
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Users of the data should acknowledge the original authors of the
structural data.