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Information card for entry 7239255
Preview
| Coordinates | 7239255.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C22 H30 N4 S4 |
|---|---|
| Calculated formula | C22 H30 N4 S4 |
| Title of publication | Optoelectronic and structural properties of a family of thiophene functionalized 1,5-dithia-2,4,6,8-tetrazocines |
| Authors of publication | Afjeh, Soofieh S.; Leitch, Alicea A.; Korobkov, Ilia; Brusso, Jaclyn L. |
| Journal of publication | RSC Advances |
| Year of publication | 2013 |
| Journal volume | 3 |
| Journal issue | 45 |
| Pages of publication | 23438 |
| a | 5.6375 ± 0.0005 Å |
| b | 13.6973 ± 0.0012 Å |
| c | 15.9263 ± 0.0014 Å |
| α | 87.35 ± 0.004° |
| β | 81.484 ± 0.003° |
| γ | 79.921 ± 0.003° |
| Cell volume | 1197.22 ± 0.18 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1392 |
| Residual factor for significantly intense reflections | 0.0546 |
| Weighted residual factors for significantly intense reflections | 0.0831 |
| Weighted residual factors for all reflections included in the refinement | 0.0966 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.069 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 244618 (current) | 2019-11-28 | cif/ Adding structures of 7239254, 7239255 via cif-deposit CGI script. |
7239255.cif |
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Users of the data should acknowledge the original authors of the
structural data.