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Information card for entry 4033826
Preview
| Coordinates | 4033826.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C17 H22 N2 O4 S2 |
|---|---|
| Calculated formula | C17 H22 N2 O4 S2 |
| Title of publication | Synthesis, Characterization, and Copper(II) Chelates of 1,11-Dithia-4,8-diazacyclotetradecane. |
| Authors of publication | Taschner, Ian S.; Walker, Tia L.; DeHaan, Hunter S.; Schrage, Briana R.; Ziegler, Christopher J.; Taschner, Michael J. |
| Journal of publication | The Journal of organic chemistry |
| Year of publication | 2019 |
| Journal volume | 84 |
| Journal issue | 17 |
| Pages of publication | 11091 - 11102 |
| a | 12.1657 ± 0.0006 Å |
| b | 17.8449 ± 0.0009 Å |
| c | 8.3153 ± 0.0004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1805.22 ± 0.15 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 41 |
| Hermann-Mauguin space group symbol | A e a 2 |
| Hall space group symbol | A 2 -2ab |
| Residual factor for all reflections | 0.0223 |
| Residual factor for significantly intense reflections | 0.0217 |
| Weighted residual factors for significantly intense reflections | 0.0594 |
| Weighted residual factors for all reflections included in the refinement | 0.06 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.012 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 222401 (current) | 2019-11-04 | cif/ Adding structures of 4033826 via cif-deposit CGI script. |
4033826.cif |
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Users of the data should acknowledge the original authors of the
structural data.