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Information card for entry 7207525
Preview
| Coordinates | 7207525.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C44 H30 |
|---|---|
| Calculated formula | C44 H30 |
| SMILES | c1cc(/C=C/c2c3c(cc4c2cccc4)cccc3)ccc1c1ccc(/C=C/c2c3c(cc4c2cccc4)cccc3)cc1 |
| Title of publication | Intramolecular H⋯H steric hindrance modulated aggregate packing and optoelectronic properties in 1-naphthyl, 9-anthryl end-capped styrylarylene derivatives |
| Authors of publication | Li, Ye-Xin; Jia, Jiong; Tao, Xu-Tang |
| Journal of publication | CrystEngComm |
| Year of publication | 2012 |
| Journal volume | 14 |
| Journal issue | 8 |
| Pages of publication | 2843 |
| a | 6.4897 ± 0.0014 Å |
| b | 19.302 ± 0.005 Å |
| c | 12.454 ± 0.002 Å |
| α | 90° |
| β | 99.848 ± 0.019° |
| γ | 90° |
| Cell volume | 1537.1 ± 0.6 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 2 |
| 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 | 0.2226 |
| Residual factor for significantly intense reflections | 0.0748 |
| Weighted residual factors for significantly intense reflections | 0.1478 |
| Weighted residual factors for all reflections included in the refinement | 0.1887 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.968 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301863 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/20/ Each referenced PubChem compound corresponds to the full crystal structure. |
7207525.cif |
| 180406 | 2016-03-26 | cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/75. |
7207525.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7207525.cif |
| 52028 | 2012-04-07 | ../uploads/cif-deposit/cod/cif Adding structures of 7207525, 7207526 via cif-deposit CGI script. |
7207525.cif |
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Users of the data should acknowledge the original authors of the
structural data.