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Information card for entry 1566632
Preview
| Coordinates | 1566632.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | TBPC-611 |
|---|---|
| Formula | C78 H78 N6 O3 |
| Calculated formula | C78 H78 N6 O3 |
| Title of publication | A triple helicene based molecular semiconductor characteristic of a fully fused conjugated backbone for perovskite solar cells |
| Authors of publication | Fang, Lingyi; Zhang, Yuyan; Ren, Ming; Xie, Xinrui; Li, Tianyu; Yuan, Yi; Zhang, Jing; Wang, Peng |
| Journal of publication | Energy & Environmental Science |
| Year of publication | 2022 |
| Journal volume | 15 |
| Journal issue | 4 |
| Pages of publication | 1630 - 1637 |
| a | 14.2538 ± 0.0006 Å |
| b | 17.1903 ± 0.0007 Å |
| c | 17.3592 ± 0.0007 Å |
| α | 79.038 ± 0.002° |
| β | 72.546 ± 0.002° |
| γ | 68.828 ± 0.002° |
| Cell volume | 3767.7 ± 0.3 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 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 | 0.1545 |
| Residual factor for significantly intense reflections | 0.0949 |
| Weighted residual factors for significantly intense reflections | 0.2951 |
| Weighted residual factors for all reflections included in the refinement | 0.3382 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.13 |
| Diffraction radiation wavelength | 1.34138 Å |
| Diffraction radiation type | GaKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
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The link is: https://www.crystallography.net/1566632.html
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