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Information card for entry 4131153
Preview
| Coordinates | 4131153.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C18 H14 Br2 O2 |
|---|---|
| Calculated formula | C18 H14 Br2 O2 |
| SMILES | Brc1ccc(C2(O)C=CC(O)(C=C2)c2ccc(Br)cc2)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 | 15.1229 ± 0.001 Å |
| b | 12.2107 ± 0.0006 Å |
| c | 9.0045 ± 0.0006 Å |
| α | 90° |
| β | 101.217 ± 0.005° |
| γ | 90° |
| Cell volume | 1631.02 ± 0.18 Å3 |
| Cell temperature | 193 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 |
| 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. |
4131153.cif |
| 241433 | 2019-11-25 | cif/ Adding structures of 4131153 via cif-deposit CGI script. |
4131153.cif |
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Users of the data should acknowledge the original authors of the
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