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Information card for entry 1559026
Preview
| Coordinates | 1559026.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | 2,11-Dithia[3.3]metaparacyclophane |
|---|---|
| Formula | C16 H16 S2 |
| Calculated formula | C16 S2 |
| Title of publication | Disordered Crystal Structure of 2,11-Dithia[3.3]metaparacyclophane |
| Authors of publication | Kivekas, Raikko; Klinga, Martti; Almajano, Maria Pilar; Teixidor, Francesc; Casabo, Jaume |
| Journal of publication | Acta Chemica Scandinavica |
| Year of publication | 1993 |
| Journal volume | 47 |
| Pages of publication | 1035 - 1037 |
| a | 7.293 ± 0.002 Å |
| b | 12.539 ± 0.004 Å |
| c | 7.621 ± 0.001 Å |
| α | 90° |
| β | 97.84 ± 0.01° |
| γ | 90° |
| Cell volume | 690.4 ± 0.3 Å3 |
| Ambient diffraction temperature | 295 K |
| Number of distinct elements | 3 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for significantly intense reflections | 0.087 |
| Weighted residual factors for significantly intense reflections | 0.08 |
| 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 |
|---|---|---|---|
| 256252 (current) | 2020-09-09 | cif/ Adding structures of 1559026 via cif-deposit CGI script. |
1559026.cif |
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