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Information card for entry 4116427
Preview
| Coordinates | 4116427.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C38 H30 |
|---|---|
| Calculated formula | C38 H30 |
| Title of publication | Molecular Packing in Unsubstituted Semiconducting Phenylenevinylene Oligomer and Polymer |
| Authors of publication | Paul F. van Hutten; Jurjen Wildeman; Auke Meetsma; Georges Hadziioannou |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 1999 |
| Journal volume | 121 |
| Pages of publication | 5910 - 5918 |
| a | 16.072 ± 0.001 Å |
| b | 7.538 ± 0.001 Å |
| c | 32.914 ± 0.002 Å |
| α | 90° |
| β | 103.349 ± 0.003° |
| γ | 90° |
| Cell volume | 3879.8 ± 0.6 Å3 |
| Cell temperature | 220 K |
| Ambient diffraction temperature | 220 K |
| Number of distinct elements | 2 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/a 1 |
| Hall space group symbol | -P 2yab |
| Residual factor for all reflections | 0.238 |
| Residual factor for significantly intense reflections | 0.0917 |
| Weighted residual factors for significantly intense reflections | 0.2114 |
| Weighted residual factors for all reflections included in the refinement | 0.2632 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.882 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
Version history
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Users of the data should acknowledge the original authors of the
structural data.