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Information card for entry 4519028
Preview
| Coordinates | 4519028.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C56 H59 B N4 O3 |
|---|---|
| Calculated formula | C56 H59 B N4 O3 |
| Title of publication | Tuning Alkyl Chain Lengths of Oxasmaragdyrins-B(OR)2 for Optimizing Hole-Transport and Efficiency in Perovskite Solar Cells |
| Authors of publication | Leonardus, Mario; Rameez, Mohammad; Wu, Wen-Ti; Hung, Chen-Hsiung |
| Journal of publication | ACS Applied Energy Materials |
| Year of publication | 2021 |
| Journal volume | 4 |
| Journal issue | 9 |
| Pages of publication | 9090 - 9098 |
| a | 17.1942 ± 0.0011 Å |
| b | 23.7369 ± 0.0013 Å |
| c | 12.5316 ± 0.0015 Å |
| α | 90° |
| β | 114.558 ± 0.001° |
| γ | 90° |
| Cell volume | 4651.9 ± 0.7 Å3 |
| Cell temperature | 100 ± 0.2 K |
| Ambient diffraction temperature | 100 ± 0.2 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0572 |
| Residual factor for significantly intense reflections | 0.044 |
| Weighted residual factors for significantly intense reflections | 0.1126 |
| Weighted residual factors for all reflections included in the refinement | 0.1243 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.029 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 269455 (current) | 2021-10-03 | cif/ Adding structures of 4519028 via cif-deposit CGI script. |
4519028.cif |
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Users of the data should acknowledge the original authors of the
structural data.