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Information card for entry 1532461
Preview
| Coordinates | 1532461.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | EBTT |
|---|---|
| Formula | C16 H8 S3 |
| Calculated formula | C16 H8 S3 |
| SMILES | s1c2c3sccc3ccc2c2ccc3ccsc3c12 |
| Title of publication | Synthesis and Properties of Ethene-Bridged Terthiophenes. |
| Authors of publication | Mitsudo, Koichi; Sato, Hidehiko; Yamasaki, Arata; Kamimoto, Natsuyo; Goto, Jun; Mandai, Hiroki; Suga, Seiji |
| Journal of publication | Organic letters |
| Year of publication | 2015 |
| Journal volume | 17 |
| Journal issue | 19 |
| Pages of publication | 4858 - 4861 |
| a | 13.033 ± 0.007 Å |
| b | 3.916 ± 0.002 Å |
| c | 24.464 ± 0.013 Å |
| α | 90° |
| β | 103.214 ± 0.008° |
| γ | 90° |
| Cell volume | 1215.5 ± 1.1 Å3 |
| Cell temperature | 113 K |
| Ambient diffraction temperature | 113 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0422 |
| Residual factor for significantly intense reflections | 0.0347 |
| Weighted residual factors for significantly intense reflections | 0.0738 |
| Weighted residual factors for all reflections included in the refinement | 0.0779 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.063 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 160564 (current) | 2015-10-06 | cif/ Updating files of 1532457, 1532458, 1532459, 1532460, 1532461 Original log message: Adding full bibliography for 1532457--1532461.cif. |
1532461.cif |
| 158185 | 2015-09-20 | cif/ Adding structures of 1532461 via cif-deposit CGI script. |
1532461.cif |
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Users of the data should acknowledge the original authors of the
structural data.