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Information card for entry 4516173
Preview
| Coordinates | 4516173.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C21 H13 N O2 |
|---|---|
| Calculated formula | C21 H13 N O2 |
| SMILES | c12ccccc1cc(c1ccc(/C=C(\C#N)c3ccccc3)o1)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 | 7.353 ± 0.001 Å |
| b | 13.0226 ± 0.0009 Å |
| c | 32.757 ± 0.004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3136.7 ± 0.6 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.1783 |
| Residual factor for significantly intense reflections | 0.047 |
| Weighted residual factors for significantly intense reflections | 0.0868 |
| Weighted residual factors for all reflections included in the refinement | 0.1106 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.929 |
| 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 |
|---|---|---|---|
| 226164 (current) | 2019-11-10 | cif/ Adding structures of 4516173 via cif-deposit CGI script. |
4516173.cif |
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