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Information card for entry 7134745
Preview
| Coordinates | 7134745.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H12 S6 |
|---|---|
| Calculated formula | C20 H12 S6 |
| Title of publication | Synthesis, structure, and properties of twisted π-conjugated molecules featuring three-dimensional π-π interactions in solid states |
| Authors of publication | Nagase, Mai; Yoshida, Ryu; Nakano, Sachiko; Hirose, Takashi; Segawa, Yasutomo |
| Journal of publication | Chemical Communications |
| Year of publication | 2025 |
| a | 13.9881 ± 0.0003 Å |
| b | 11.6422 ± 0.0003 Å |
| c | 22.2132 ± 0.0005 Å |
| α | 90° |
| β | 92.097 ± 0.002° |
| γ | 90° |
| Cell volume | 3615.05 ± 0.15 Å3 |
| Cell temperature | 143.15 K |
| Ambient diffraction temperature | 143.15 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 | 0.0309 |
| Residual factor for significantly intense reflections | 0.0268 |
| Weighted residual factors for significantly intense reflections | 0.0678 |
| Weighted residual factors for all reflections included in the refinement | 0.0702 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.051 |
| 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 |
|---|---|---|---|
| 300136 (current) | 2025-06-20 | cif/ Adding structures of 7134744, 7134745, 7134746 via cif-deposit CGI script. |
7134745.cif |
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Users of the data should acknowledge the original authors of the
structural data.