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Information card for entry 7126491
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| Coordinates | 7126491.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | dPyr PDI |
|---|---|
| Chemical name | dipyrrolodine perylene diimide |
| Formula | C128 H96 N16 O16 |
| Calculated formula | C128 H96 N16 O16 |
| Title of publication | Crystal structure and orientation of organic semiconductor thin films by microcrystal electron diffraction and grazing-incidence wide-angle X-ray scattering. |
| Authors of publication | Levine, Andrew M.; Bu, Guanhong; Biswas, Sankarsan; Tsai, Esther H. R.; Braunschweig, Adam B.; Nannenga, Brent L. |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2020 |
| Journal volume | 56 |
| Journal issue | 30 |
| Pages of publication | 4204 - 4207 |
| a | 22.05 ± 0.004 Å |
| b | 10.76 ± 0.002 Å |
| c | 9.34 ± 0.002 Å |
| α | 90 ± 0.03° |
| β | 101.29 ± 0.03° |
| γ | 90 ± 0.03° |
| Cell volume | 2173.1 ± 0.8 Å3 |
| Cell temperature | 77 K |
| Ambient diffraction temperature | 77 K |
| Number of distinct elements | 4 |
| Space group number | 9 |
| Hermann-Mauguin space group symbol | C 1 c 1 |
| Hall space group symbol | C -2yc |
| Residual factor for all reflections | 0.2355 |
| Residual factor for significantly intense reflections | 0.1991 |
| Weighted residual factors for significantly intense reflections | 0.4813 |
| Weighted residual factors for all reflections included in the refinement | 0.5085 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.423 |
| Diffraction radiation wavelength | 1 Å |
| Diffraction radiation type | electron |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 251492 (current) | 2020-05-04 | cif/ Adding structures of 7126491, 7126492, 7126493 via cif-deposit CGI script. |
7126491.cif |
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Users of the data should acknowledge the original authors of the
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