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Information card for entry 4002849
Preview
| Coordinates | 4002849.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C136 H100 N4 O8 |
|---|---|
| Calculated formula | C136 H100 N4 O8 |
| Title of publication | Highly Fluorescent Molecularly Insulated Perylene Diimides: Effect of Concentration on Photophysical Properties |
| Authors of publication | Zhang, Bolong; Soleimaninejad, Hamid; Jones, David J.; White, Jonathan M.; Ghiggino, Kenneth P.; Smith, Trevor A.; Wong, Wallace W. H. |
| Journal of publication | Chemistry of Materials |
| Year of publication | 2017 |
| Journal volume | 29 |
| Journal issue | 19 |
| Pages of publication | 8395 |
| a | 16.945 ± 0.003 Å |
| b | 17.24 ± 0.003 Å |
| c | 20.307 ± 0.004 Å |
| α | 81.27 ± 0.03° |
| β | 73.96 ± 0.03° |
| γ | 64.79 ± 0.03° |
| Cell volume | 5154 ± 2 Å3 |
| Cell temperature | 100 ± 0.2 K |
| Ambient diffraction temperature | 100 ± 0.2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0754 |
| Residual factor for significantly intense reflections | 0.0694 |
| Weighted residual factors for significantly intense reflections | 0.2194 |
| Weighted residual factors for all reflections included in the refinement | 0.2277 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.067 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | Synchrotron |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 275243 (current) | 2022-05-09 | cif/4/00/28/ Removed the '‘' and '’' sequences from multiple data values in entry 4002849. |
4002849.cif |
| 202664 | 2017-11-07 | cif/ Updating files of 4002848, 4002849 Original log message: Adding full bibliography for 4002848--4002849.cif. |
4002849.cif |
| 201027 | 2017-09-20 | cif/ Adding structures of 4002849 via cif-deposit CGI script. |
4002849.cif |
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Users of the data should acknowledge the original authors of the
structural data.