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Information card for entry 4000355
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| Coordinates | 4000355.cif |
|---|
| Formula | C36 H22 S6 |
|---|---|
| Calculated formula | C36 H22 S6 |
| SMILES | c1ccc(cc1)c1ccc(s1)c1ccc(s1)c1ccc(s1)c1ccc(s1)c1ccc(s1)c1ccc(s1)c1ccccc1 |
| Journal of publication | Chemistry of Materials |
| Year of publication | 2004 |
| a | 5.98 ± 0.002 Å |
| b | 7.828 ± 0.001 Å |
| c | 61.88 ± 0.02 Å |
| α | 90° |
| β | 92.35 ± 0.01° |
| γ | 90° |
| Cell volume | 2894 ± 1 Å3 |
| Cell temperature | 296.2 K |
| Number of distinct elements | 3 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for significantly intense reflections | 0.0862 |
| Weighted residual factors for all reflections included in the refinement | 0.1202 |
| Goodness-of-fit parameter for all reflections included in the refinement | 2.281 |
| Diffraction radiation wavelength | 1.5418 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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Users of the data should acknowledge the original authors of the
structural data.