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Information card for entry 1542329
Preview
| Coordinates | 1542329.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | Dibromo Dithieno[2,3-d;2?,3?-d]benzo[2,1-b:3,4-b']dithiophene |
|---|---|
| Chemical name | Br2-DTmBDT |
| Formula | C38 H52 Br2 S4 |
| Calculated formula | C38 H52 Br2 S4 |
| SMILES | Brc1sc2c3c(c(c4c(c3sc2c1)sc1cc(Br)sc41)CCCCCCCCCCCC)CCCCCCCCCCCC |
| Title of publication | Dithieno[2,3-d;2′,3′-d]benzo[2,1-b;3,4-b‘]dithiophene: a novel building-block for a planar copolymer |
| Authors of publication | Keerthi, Ashok; An, Cunbin; Li, Mengmeng; Marszalek, Tomasz; Ricciardulli, Antonio Gaetano; Radha, Boya; Alsewailem, Fares D.; Müllen, Klaus; Baumgarten, Martin |
| Journal of publication | Polym. Chem. |
| Year of publication | 2016 |
| Journal volume | 7 |
| Journal issue | 8 |
| Pages of publication | 1545 |
| a | 22.597 ± 0.002 Å |
| b | 8.0328 ± 0.0006 Å |
| c | 20.9789 ± 0.0019 Å |
| α | 90° |
| β | 98.073 ± 0.005° |
| γ | 90° |
| Cell volume | 3770.3 ± 0.6 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.0771 |
| Residual factor for significantly intense reflections | 0.0432 |
| Weighted residual factors for significantly intense reflections | 0.0891 |
| Weighted residual factors for all reflections included in the refinement | 0.101 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.987 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 177939 (current) | 2016-03-05 | cif/ Updating files of 1542329 Original log message: Adding full bibliography for 1542329.cif. |
1542329.cif |
| 175147 | 2016-01-27 | cif/ Adding structures of 1542329 via cif-deposit CGI script. |
1542329.cif |
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