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Information card for entry 1507707
Preview
| Coordinates | 1507707.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | N,N'-dimethyl-bis(dithienopyrrolo)thiophene |
|---|---|
| Formula | C14 H10 N2 S3 |
| Calculated formula | C14 H10 N2 S3 |
| SMILES | s1ccc2c1c1sc3c(c1n2C)n(c1c3scc1)C |
| Title of publication | Synthesis of nitrogen-bridged terthiophenes by tandem buchwald-hartwig coupling and their properties. |
| Authors of publication | Mitsudo, Koichi; Shimohara, Shuichi; Mizoguchi, Jun; Mandai, Hiroki; Suga, Seiji |
| Journal of publication | Organic letters |
| Year of publication | 2012 |
| Journal volume | 14 |
| Journal issue | 11 |
| Pages of publication | 2702 - 2705 |
| a | 7.427 ± 0.005 Å |
| b | 14.544 ± 0.01 Å |
| c | 12.017 ± 0.008 Å |
| α | 90° |
| β | 97.754 ± 0.008° |
| γ | 90° |
| Cell volume | 1286.2 ± 1.5 Å3 |
| Cell temperature | 100.15 K |
| Ambient diffraction temperature | 100.15 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/a 1 |
| Hall space group symbol | -P 2yab |
| Residual factor for all reflections | 0.1605 |
| Residual factor for significantly intense reflections | 0.1301 |
| Weighted residual factors for significantly intense reflections | 0.3011 |
| Weighted residual factors for all reflections included in the refinement | 0.3179 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.088 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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