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Information card for entry 7234462
Preview
| Coordinates | 7234462.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C31 H21 N O2 S |
|---|---|
| Calculated formula | C31 H21 N O2 S |
| SMILES | C12(c3ccccc3S(=O)(=O)c3ccccc13)c1ccccc1N(c1ccccc21)c1ccccc1 |
| Title of publication | Properties modulation of organic semi-conductors based on a donor-spiro-acceptor (D-spiro-A) molecular design: new host materials for efficient sky-blue PhOLEDs |
| Authors of publication | Maxime Romain; Denis Tondelier; Olivier Jeannin; Bernard Geffroy; Joelle Rault-Berthelot; Cyril Poriel |
| Journal of publication | Journal of Materials Chemistry C |
| Year of publication | 2015 |
| Journal volume | 3 |
| Pages of publication | 9701 - 9713 |
| a | 8.8667 ± 0.0003 Å |
| b | 11.8588 ± 0.0003 Å |
| c | 15.4264 ± 0.0004 Å |
| α | 112.252 ± 0.001° |
| β | 95.204 ± 0.001° |
| γ | 94.286 ± 0.001° |
| Cell volume | 1484.57 ± 0.07 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0792 |
| Residual factor for significantly intense reflections | 0.0667 |
| Weighted residual factors for significantly intense reflections | 0.1868 |
| Weighted residual factors for all reflections included in the refinement | 0.194 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.111 |
| 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 |
|---|---|---|---|
| 219157 (current) | 2019-10-08 | cif/ Adding structures of 7234460, 7234461, 7234462, 7234463, 7234464 via cif-deposit CGI script. |
7234462.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
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.
Users of the data should acknowledge the original authors of the
structural data.