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Information card for entry 7132048
Preview
| Coordinates | 7132048.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C24 H12 S6 |
|---|---|
| Calculated formula | C24 H12 S6 |
| Title of publication | Synthesis of penta- and hexa(3,4-thienylene): Size-dependent structural properties of cyclic oligothiophenes |
| Authors of publication | Nagase, Mai; Nakano, Sachiko; Segawa, Yasutomo |
| Journal of publication | Chemical Communications |
| Year of publication | 2023 |
| a | 13.6292 ± 0.001 Å |
| b | 12.2216 ± 0.0005 Å |
| c | 14.3297 ± 0.0012 Å |
| α | 90° |
| β | 117.598 ± 0.01° |
| γ | 90° |
| Cell volume | 2115.3 ± 0.3 Å3 |
| Cell temperature | 123 ± 2 K |
| Ambient diffraction temperature | 123 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | I 1 2/a 1 |
| Hall space group symbol | -I 2ya |
| Residual factor for all reflections | 0.0547 |
| Residual factor for significantly intense reflections | 0.0407 |
| Weighted residual factors for significantly intense reflections | 0.1036 |
| Weighted residual factors for all reflections included in the refinement | 0.1127 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.03 |
| 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 |
|---|---|---|---|
| 285850 (current) | 2023-08-24 | cif/ Adding structures of 7132046, 7132047, 7132048 via cif-deposit CGI script. |
7132048.cif |
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Users of the data should acknowledge the original authors of the
structural data.