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Information card for entry 4131152
Preview
| Coordinates | 4131152.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C20 H18 Br2 O2 |
|---|---|
| Calculated formula | C20 H18 Br2 O2 |
| SMILES | Brc1ccc(C2(C=CC(C=C2)(c2ccc(Br)cc2)OC)OC)cc1 |
| Title of publication | A New Solution to an Old Problem: Synthesis of Unsubstituted Poly(para-phenylene). |
| Authors of publication | Abdulkarim, Ali; Hinkel, Felix; Jänsch, Daniel; Freudenberg, Jan; Golling, Florian E.; Müllen, Klaus |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2016 |
| Journal volume | 138 |
| Journal issue | 50 |
| Pages of publication | 16208 - 16211 |
| a | 19.57 ± 0.002 Å |
| b | 19.57 ± 0.002 Å |
| c | 9.704 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3716.5 ± 0.9 Å3 |
| Cell temperature | 173 K |
| Number of distinct elements | 4 |
| Space group number | 114 |
| Hermann-Mauguin space group symbol | P -4 21 c |
| Hall space group symbol | P -4 2n |
| 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 |
|---|---|---|---|
| 301835 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/13/ Each referenced PubChem compound corresponds to the full crystal structure. |
4131152.cif |
| 241432 | 2019-11-25 | cif/ Adding structures of 4131152 via cif-deposit CGI script. |
4131152.cif |
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Users of the data should acknowledge the original authors of the
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