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Information card for entry 1559505
Preview
| Coordinates | 1559505.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | 2,3-dihydro-2-phenyl-1,3-dithiolo[4,5-e][1,4]dithiin-6-thione |
|---|---|
| Formula | C11 H8 O S4 |
| Calculated formula | C11 O S4 |
| Title of publication | The Crystal Structures of Three Precursors to Organic Donors Based on BEDT‒TTF |
| Authors of publication | Larsen, Sine; Thorsteinsson, Thorstein; Bowadt, Soren; Hansen, Thomas K.; Varma, Karikath S.; Becher, Jan; Underhill, Allan E. |
| Journal of publication | Acta Chemica Scandinavica |
| Year of publication | 1991 |
| Journal volume | 45 |
| Pages of publication | 709 - 715 |
| a | 15.735 ± 0.003 Å |
| b | 9.1996 ± 0.0009 Å |
| c | 16.487 ± 0.014 Å |
| α | 90° |
| β | 96.85 ± 0.03° |
| γ | 90° |
| Cell volume | 2370 ± 2 Å3 |
| Ambient diffraction temperature | 110 K |
| Number of distinct elements | 4 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for significantly intense reflections | 0.044 |
| Weighted residual factors for significantly intense reflections | 0.063 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.9 |
| 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 |
|---|---|---|---|
| 259114 (current) | 2020-11-12 | cif/ Adding structures of 1559505 via cif-deposit CGI script. |
1559505.cif |
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Users of the data should acknowledge the original authors of the
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