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Information card for entry 4518758
Preview
| Coordinates | 4518758.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C80 H71 N3 O9 |
|---|---|
| Calculated formula | C80 H71 N3 O9 |
| Title of publication | A Pyrrole-Bridged Bis(oxa[5]helicene)-Based Molecular Semiconductor for Efficient and Durable Perovskite Solar Cells: Microscopic Insights |
| Authors of publication | Wei, Yuefang; Zheng, Aibin; Xie, Xinrui; Zhang, Jingfeng; He, Lifei; Wang, Peng |
| Journal of publication | ACS Materials Letters |
| Year of publication | 2021 |
| Pages of publication | 947 - 955 |
| a | 11.0437 ± 0.0005 Å |
| b | 16.1591 ± 0.0007 Å |
| c | 17.43 ± 0.0007 Å |
| α | 90.558 ± 0.002° |
| β | 93.66 ± 0.002° |
| γ | 93.443 ± 0.002° |
| Cell volume | 3098.3 ± 0.2 Å3 |
| Cell temperature | 170 ± 2 K |
| Ambient diffraction temperature | 170 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 | 0.0777 |
| Residual factor for significantly intense reflections | 0.0522 |
| Weighted residual factors for significantly intense reflections | 0.1302 |
| Weighted residual factors for all reflections included in the refinement | 0.1464 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.033 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 265655 (current) | 2021-06-02 | cif/ Adding structures of 4518758 via cif-deposit CGI script. |
4518758.cif |
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Users of the data should acknowledge the original authors of the
structural data.