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Information card for entry 8000355
Preview
| Coordinates | 8000355.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C32 H18 |
|---|---|
| Calculated formula | C32 H18 |
| SMILES | C1(=Cc2c3ccccc3cc3cccc1c23)c1ccc2ccc3cccc4ccc1c2c34 |
| Title of publication | Prolonged Charge Separated States in Twisted Stacks of All-Carbon Donor and Acceptor Chromophores. |
| Authors of publication | Philip, Abbey M.; Mallia, Ajith R.; Hariharan, Mahesh |
| Journal of publication | The journal of physical chemistry letters |
| Year of publication | 2016 |
| Journal volume | 7 |
| Journal issue | 22 |
| Pages of publication | 4751 - 4756 |
| a | 30.4984 ± 0.0011 Å |
| b | 3.9613 ± 0.0002 Å |
| c | 16.2415 ± 0.0006 Å |
| α | 90° |
| β | 92.412 ± 0.003° |
| γ | 90° |
| Cell volume | 1960.45 ± 0.14 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 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 | 0.1065 |
| Residual factor for significantly intense reflections | 0.0489 |
| Weighted residual factors for significantly intense reflections | 0.1106 |
| Weighted residual factors for all reflections included in the refinement | 0.1373 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.011 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 236650 (current) | 2019-11-24 | cif/ Adding structures of 8000354, 8000355 via cif-deposit CGI script. |
8000355.cif |
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Users of the data should acknowledge the original authors of the
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