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Information card for entry 7242715
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| Coordinates | 7242715.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C52 H36 N2 |
|---|---|
| Calculated formula | C52 H36 N2 |
| Title of publication | Effect of the conformer distribution on the properties of amorphous organic semiconductor films for organic light-emitting diodes |
| Authors of publication | Sukegawa, Yoshihito; Sato, Kaito; Fujiwara, Wataru; Katagiri, Hiroshi; Yokoyama, Daisuke |
| Journal of publication | Physical Chemistry Chemical Physics |
| Year of publication | 2021 |
| a | 18.0128 ± 0.001 Å |
| b | 27.5447 ± 0.0016 Å |
| c | 7.2185 ± 0.0003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3581.5 ± 0.3 Å3 |
| Cell temperature | 200 K |
| Ambient diffraction temperature | 200 K |
| Number of distinct elements | 3 |
| Space group number | 45 |
| Hermann-Mauguin space group symbol | I b a 2 |
| Hall space group symbol | I 2 -2c |
| Residual factor for all reflections | 0.0906 |
| Residual factor for significantly intense reflections | 0.0637 |
| Weighted residual factors for significantly intense reflections | 0.1495 |
| Weighted residual factors for all reflections included in the refinement | 0.1668 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.039 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 264511 (current) | 2021-04-25 | cif/ Adding structures of 7242715 via cif-deposit CGI script. |
7242715.cif |
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Users of the data should acknowledge the original authors of the
structural data.