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Information card for entry 1532510
Preview
| Coordinates | 1532510.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C12 H6 S8 |
|---|---|
| Calculated formula | C12 H6 S8 |
| SMILES | s1cccc1c1sc(c2SSSSSc12)c1sccc1 |
| Title of publication | Thienopentathiepine: a sulfur containing fused heterocycle for conjugated systems and their electrochemical polymerization |
| Authors of publication | Debnath, Sashi; Bedi, Anjan; Zade, Sanjio S. |
| Journal of publication | Polym. Chem. |
| Year of publication | 2015 |
| Journal volume | 6 |
| Journal issue | 44 |
| Pages of publication | 7658 |
| a | 8.3161 ± 0.0003 Å |
| b | 20.227 ± 0.0007 Å |
| c | 9.2199 ± 0.0004 Å |
| α | 90° |
| β | 92.391 ± 0.004° |
| γ | 90° |
| Cell volume | 1549.53 ± 0.1 Å3 |
| Cell temperature | 293.74 ± 0.1 K |
| Ambient diffraction temperature | 293.74 ± 0.1 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 all reflections | 0.058638 |
| Residual factor for significantly intense reflections | 0.051285 |
| Weighted residual factors for all reflections included in the refinement | 0.143797 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.03609 |
| 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 |
|---|---|---|---|
| 301778 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/53 Each referenced PubChem compound corresponds to the full crystal structure. |
1532510.cif |
| 171372 | 2015-12-09 | cif/ Updating files of 1532507, 1532508, 1532509, 1532510 Original log message: Adding full bibliography for 1532507--1532510.cif. |
1532510.cif |
| 158419 | 2015-09-26 | cif/ Adding structures of 1532507, 1532508, 1532509, 1532510 via cif-deposit CGI script. |
1532510.cif |
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Users of the data should acknowledge the original authors of the
structural data.