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Information card for entry 4518745
Preview
| Coordinates | 4518745.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C40 H36 D12 N6 O6 S4 |
|---|---|
| Calculated formula | C40 H36 D12 N6 O6 S4 |
| Title of publication | Unusual Oxidative Dimerization in the 3-Aminothieno[2,3-b]pyridine-2-carboxamide Series |
| Authors of publication | Stroganova, Tatyana A.; Vasilin, Vladimir K.; Dotsenko, Victor V.; Aksenov, Nicolai A.; Morozov, Pavel G.; Vassiliev, Pavel M.; Volynkin, Vitaly A.; Krapivin, Gennady D. |
| Journal of publication | ACS Omega |
| Year of publication | 2021 |
| a | 11.0531 ± 0.0003 Å |
| b | 12.6868 ± 0.0003 Å |
| c | 16.6049 ± 0.0005 Å |
| α | 75.757 ± 0.002° |
| β | 83.114 ± 0.002° |
| γ | 66.615 ± 0.003° |
| Cell volume | 2070.87 ± 0.11 Å3 |
| Cell temperature | 100 ± 0.1 K |
| Ambient diffraction temperature | 100 ± 0.1 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0536 |
| Residual factor for significantly intense reflections | 0.0502 |
| Weighted residual factors for significantly intense reflections | 0.1327 |
| Weighted residual factors for all reflections included in the refinement | 0.1363 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.068 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 265590 (current) | 2021-05-29 | cif/ Adding structures of 4518745 via cif-deposit CGI script. |
4518745.cif |
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Users of the data should acknowledge the original authors of the
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