Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1556743
Preview
| Coordinates | 1556743.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C22 H30 O2 S3 Si2 |
|---|---|
| Calculated formula | C22 H30 O2 S3 Si2 |
| Title of publication | Crystal chemistry of layered structures formed by linear rigid silyl-capped molecules. |
| Authors of publication | Lumpi, Daniel; Kautny, Paul; Stöger, Berthold; Fröhlich, Johannes |
| Journal of publication | IUCrJ |
| Year of publication | 2015 |
| Journal volume | 2 |
| Journal issue | Pt 5 |
| Pages of publication | 584 - 600 |
| a | 31.8766 ± 0.0008 Å |
| b | 8.4003 ± 0.0005 Å |
| c | 10.0737 ± 0.0003 Å |
| α | 90° |
| β | 95.684 ± 0.002° |
| γ | 90° |
| Cell volume | 2684.2 ± 0.19 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 5 |
| 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 | 0.1097 |
| Residual factor for significantly intense reflections | 0.0628 |
| Weighted residual factors for significantly intense reflections | 0.0639 |
| Weighted residual factors for all reflections included in the refinement | 0.0669 |
| Goodness-of-fit parameter for significantly intense reflections | 2.95 |
| Goodness-of-fit parameter for all reflections included in the refinement | 2.36 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301780 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 1/55 Each referenced PubChem compound corresponds to the full crystal structure. |
1556743.cif |
| 245729 | 2019-12-25 | cif/ Adding structures of 1556736, 1556737, 1556738, 1556739, 1556740, 1556741, 1556742, 1556743, 1556744, 1556745, 1556746 via cif-deposit CGI script. |
1556743.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.