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Information card for entry 4002026
Preview
| Coordinates | 4002026.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C66 H48 |
|---|---|
| Calculated formula | C66 H48 |
| SMILES | c1ccccc1C(=C(\c1ccccc1)c1ccc(cc1)C(=C(c1ccccc1)c1ccccc1)c1ccccc1)\c1ccc(cc1)C(=C(c1ccccc1)c1ccccc1)c1ccccc1 |
| Title of publication | Graphene-like Molecules Based on Tetraphenylethene Oligomers: Synthesis, Characterization, and Applications |
| Authors of publication | Ma, Ji; Lin, Tingting; Pan, Xiaoyong; Wang, Weizhi |
| Journal of publication | Chemistry of Materials |
| Year of publication | 2014 |
| Journal volume | 26 |
| Journal issue | 14 |
| Pages of publication | 4221 |
| a | 42.75 ± 0.02 Å |
| b | 5.584 ± 0.003 Å |
| c | 24.009 ± 0.013 Å |
| α | 90° |
| β | 107.239 ± 0.01° |
| γ | 90° |
| Cell volume | 5474 ± 5 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 2 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.1546 |
| Residual factor for significantly intense reflections | 0.0578 |
| Weighted residual factors for significantly intense reflections | 0.1121 |
| Weighted residual factors for all reflections included in the refinement | 0.1317 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.009 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301811 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 4/00/ Each referenced PubChem compound corresponds to the full crystal structure. |
4002026.cif |
| 178377 | 2016-03-21 | cif/4/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/00. |
4002026.cif |
| 121136 | 2014-08-05 | cif/ Updating files of 4002025, 4002026 Original log message: Adding full bibliography for 4002025--4002026.cif. |
4002026.cif |
| 119917 | 2014-07-10 | cif/ Adding structures of 4002025, 4002026 via cif-deposit CGI script. |
4002026.cif |
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Users of the data should acknowledge the original authors of the
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