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Information card for entry 4038323
Preview
| Coordinates | 4038323.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C39 H37 Br2 Cl3 N4 S2 |
|---|---|
| Calculated formula | C39 H37 Br2 Cl3 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 | 6.2425 ± 0.0003 Å |
| b | 13.6804 ± 0.0005 Å |
| c | 22.8237 ± 0.001 Å |
| α | 87.472 ± 0.002° |
| β | 85.615 ± 0.002° |
| γ | 85.855 ± 0.002° |
| Cell volume | 1936.89 ± 0.14 Å3 |
| Cell temperature | 123 ± 2 K |
| Ambient diffraction temperature | 123 ± 2 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 | 0.0306 |
| Residual factor for significantly intense reflections | 0.0239 |
| Weighted residual factors for significantly intense reflections | 0.0524 |
| Weighted residual factors for all reflections included in the refinement | 0.0548 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.034 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 251415 (current) | 2020-05-03 | cif/ Adding structures of 4038323 via cif-deposit CGI script. |
4038323.cif |
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Users of the data should acknowledge the original authors of the
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