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Information card for entry 4518518
Preview
| Coordinates | 4518518.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C26 H16 N2 |
|---|---|
| Calculated formula | C26 H16 N2 |
| Title of publication | Improving the Robustness of Organic Semiconductors through Hydrogen Bonding. |
| Authors of publication | Gómez, Paula; Georgakopoulos, Stamatis; Más-Montoya, Miriam; Cerdá, Jesús; Pérez, José; Ortí, Enrique; Aragó, Juan; Curiel, David |
| Journal of publication | ACS applied materials & interfaces |
| Year of publication | 2021 |
| Journal volume | 13 |
| Journal issue | 7 |
| Pages of publication | 8620 - 8630 |
| a | 6.3982 ± 0.0003 Å |
| b | 7.4255 ± 0.0003 Å |
| c | 18.09 ± 0.0008 Å |
| α | 90° |
| β | 97.995 ± 0.002° |
| γ | 90° |
| Cell volume | 851.1 ± 0.06 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0604 |
| Residual factor for significantly intense reflections | 0.0493 |
| Weighted residual factors for significantly intense reflections | 0.1283 |
| Weighted residual factors for all reflections included in the refinement | 0.1356 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.139 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 262403 (current) | 2021-03-03 | cif/ Adding structures of 4518518 via cif-deposit CGI script. |
4518518.cif |
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Users of the data should acknowledge the original authors of the
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