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Information card for entry 4038322
Preview
| Coordinates | 4038322.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C24 H32 N4 S2 |
|---|---|
| Calculated formula | C24 H32 N4 S2 |
| Title of publication | Synthesis of Pyrazinopyrazine-Fused Azaacenes through Direct Condensation Reactions between Quinoxalinediamine and Diketones. |
| Authors of publication | Yuan, Yuping; Lo, Kin-Cheung; Szeto, Lap; Chan, Wai-Kin |
| Journal of publication | The Journal of organic chemistry |
| Year of publication | 2020 |
| a | 7.643 ± 0.0005 Å |
| b | 8.3737 ± 0.0005 Å |
| c | 18.759 ± 0.0012 Å |
| α | 77.4125 ± 0.0019° |
| β | 86.99 ± 0.002° |
| γ | 72.2796 ± 0.0018° |
| Cell volume | 1116 ± 0.12 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 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 | 0.0441 |
| Residual factor for significantly intense reflections | 0.0402 |
| Weighted residual factors for significantly intense reflections | 0.1121 |
| Weighted residual factors for all reflections included in the refinement | 0.1156 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.057 |
| 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 |
|---|---|---|---|
| 251414 (current) | 2020-05-03 | cif/ Adding structures of 4038322 via cif-deposit CGI script. |
4038322.cif |
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Users of the data should acknowledge the original authors of the
structural data.