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Information card for entry 1570145
Preview
| Coordinates | 1570145.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C112 H72 Cl4 N4 O2 S4 |
|---|---|
| Calculated formula | C98 H58 Cl4 N4 O2 S4 |
| SMILES | c12c3sc(cc3sc2c2c([C@]1(c1ccc(cc1)CCC)c1ccc(cc1)CCCC)cc1c(c2)[C@@](c2c3sc(cc3sc12)/C=C\1C(=C(C#N)C#N)c2cc(c(cc2C1=O)Cl)Cl)(c1ccc(cc1)CCC)c1ccc(cc1)CCCC)/C=C1/C(c2cc(c(cc2C1=O)Cl)Cl)=C(C#N)C#N.c1cc(ccc1)C.c1cc(ccc1)C |
| Title of publication | Exploring the significance of packing modes and 3D framework sizes and utilizing three chlorine-mediated acceptors and the “like dissolves like” approach for achieving an efficiency over 19% |
| Authors of publication | Lai, Hanjian; Chen, Hui; Chen, Zi-Yi; Lang, Yongwen; Zhu, Yulin; Zhang, Shi-Tong; Lai, Xue; Tan, Pu; Zhang, Yuanzhu; Yang, Bing; Li, Gang; He, Feng |
| Journal of publication | Energy & Environmental Science |
| Year of publication | 2023 |
| Journal volume | 16 |
| Journal issue | 12 |
| Pages of publication | 5944 - 5955 |
| a | 8.7351 ± 0.0007 Å |
| b | 19.5191 ± 0.0017 Å |
| c | 26.799 ± 0.002 Å |
| α | 90° |
| β | 97.543 ± 0.008° |
| γ | 90° |
| Cell volume | 4529.7 ± 0.6 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 0.1 K |
| Number of distinct elements | 6 |
| 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 | 0.3004 |
| Residual factor for significantly intense reflections | 0.162 |
| Weighted residual factors for significantly intense reflections | 0.3196 |
| Weighted residual factors for all reflections included in the refinement | 0.4253 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.867 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 288813 (current) | 2024-01-06 | cif/ Updating files of 1570145, 1570146, 1570147, 1570148, 1570149 Original log message: Adding full bibliography for 1570145--1570149.cif. |
1570145.cif |
| 287012 | 2023-10-18 | cif/ Adding structures of 1570145, 1570146, 1570147, 1570148, 1570149 via cif-deposit CGI script. |
1570145.cif |
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Users of the data should acknowledge the original authors of the
structural data.