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Information card for entry 7134744
Preview
| Coordinates | 7134744.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C10 H4 S2 |
|---|---|
| Calculated formula | C10 H4 S2 |
| 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 | 13.036 ± 0.0007 Å |
| b | 9.2577 ± 0.0004 Å |
| c | 12.7472 ± 0.0007 Å |
| α | 90° |
| β | 105.591 ± 0.006° |
| γ | 90° |
| Cell volume | 1481.77 ± 0.14 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 | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.042 |
| Residual factor for significantly intense reflections | 0.0336 |
| Weighted residual factors for significantly intense reflections | 0.0864 |
| Weighted residual factors for all reflections included in the refinement | 0.09 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.072 |
| 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. |
7134744.cif |
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Users of the data should acknowledge the original authors of the
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