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Information card for entry 7123349
Preview
| Coordinates | 7123349.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C44 H24 N4 |
|---|---|
| Calculated formula | C44 H24 N4 |
| Title of publication | Planarization of tetracarboxamides. Tuning the self-assembly of polycyclic aromatic hydrocarbons |
| Authors of publication | Dorca, Yeray; Naranjo, Cristina; Delgado-Martínez, Patricia; Gómez, Rafael; Sanchez, Luis |
| Journal of publication | Chemical Communications |
| Year of publication | 2019 |
| a | 10.3313 ± 0.0006 Å |
| b | 10.8088 ± 0.0006 Å |
| c | 29.7134 ± 0.0018 Å |
| α | 90° |
| β | 93.664 ± 0.001° |
| γ | 90° |
| Cell volume | 3311.3 ± 0.3 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296.15 K |
| Number of distinct elements | 3 |
| 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 | 0.1698 |
| Residual factor for significantly intense reflections | 0.0533 |
| Weighted residual factors for significantly intense reflections | 0.107 |
| Weighted residual factors for all reflections included in the refinement | 0.1537 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.988 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 214833 (current) | 2019-04-30 | cif/ Adding structures of 7123349 via cif-deposit CGI script. |
7123349.cif |
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Users of the data should acknowledge the original authors of the
structural data.