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Information card for entry 4516177
Preview
| Coordinates | 4516177.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C18 H12 O2 |
|---|---|
| Calculated formula | C18 H12 O2 |
| SMILES | c12ccccc1cc(/C=C/c1cc3ccccc3o1)o2 |
| Title of publication | Solid-State Emission Enhancement via Molecular Engineering of Benzofuran Derivatives. |
| Authors of publication | Grolleau, Jérémie; Petrov, Ravil; Allain, Magali; Skene, William G.; Frère, Pierre |
| Journal of publication | ACS omega |
| Year of publication | 2018 |
| Journal volume | 3 |
| Journal issue | 12 |
| Pages of publication | 18542 - 18552 |
| a | 6.4009 ± 0.0002 Å |
| b | 7.3211 ± 0.0003 Å |
| c | 13.9114 ± 0.0006 Å |
| α | 90° |
| β | 100.161 ± 0.004° |
| γ | 90° |
| Cell volume | 641.69 ± 0.04 Å3 |
| Cell temperature | 150 ± 0.1 K |
| Ambient diffraction temperature | 150 ± 0.1 K |
| Number of distinct elements | 3 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0344 |
| Residual factor for significantly intense reflections | 0.0326 |
| Weighted residual factors for significantly intense reflections | 0.0922 |
| Weighted residual factors for all reflections included in the refinement | 0.0934 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.061 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 226168 (current) | 2019-11-10 | cif/ Adding structures of 4516177 via cif-deposit CGI script. |
4516177.cif |
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