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Information card for entry 2021871
Preview
| Coordinates | 2021871.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | Bis(dipropylthiocarbamoyl)disulfide |
|---|---|
| Formula | C14 H28 N2 S4 |
| Calculated formula | C14 H28 N2 S4 |
| SMILES | S(SC(=S)N(CCC)CCC)C(=S)N(CCC)CCC |
| Title of publication | Bis(dipropylthiocarbamoyl) disulfide |
| Authors of publication | Jian, F.; Jiang, L.; Fun, H.-K.; Chinnakali, K.; Razak, I. A.; You, X. |
| Journal of publication | Acta Crystallographica Section C Crystal Structure Communications |
| Year of publication | 1999 |
| Journal volume | 55 |
| Journal issue | 4 |
| Pages of publication | 573 |
| a | 11.0232 ± 0.0002 Å |
| b | 15.1645 ± 0.0002 Å |
| c | 24.2826 ± 0.0001 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 4059.11 ± 0.09 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.078 |
| Residual factor for significantly intense reflections | 0.051 |
| Weighted residual factors for all reflections included in the refinement | 0.143 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.06 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 246031 (current) | 2019-12-26 | cif/ Adding structures of 2021871 via cif-deposit CGI script. |
2021871.cif |
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