Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7134746
Preview
| Coordinates | 7134746.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C24 H16 S4 |
|---|---|
| Calculated formula | C24 H16 S4 |
| 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 | 12.0579 ± 0.0005 Å |
| b | 7.6145 ± 0.0003 Å |
| c | 21.3949 ± 0.0007 Å |
| α | 90° |
| β | 105.709 ± 0.004° |
| γ | 90° |
| Cell volume | 1891 ± 0.13 Å3 |
| Cell temperature | 143.15 K |
| Ambient diffraction temperature | 143.15 K |
| Number of distinct elements | 3 |
| Space group number | 13 |
| Hermann-Mauguin space group symbol | P 1 2/n 1 |
| Hall space group symbol | -P 2yac |
| Residual factor for all reflections | 0.106 |
| Residual factor for significantly intense reflections | 0.0843 |
| Weighted residual factors for significantly intense reflections | 0.2003 |
| Weighted residual factors for all reflections included in the refinement | 0.2093 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.118 |
| 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. |
7134746.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.