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Information card for entry 1565135
Preview
| Coordinates | 1565135.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C H B Cl N O0.02 |
|---|---|
| Calculated formula | C3.27273 H2.72727 B0.136364 Cl0.136364 N0.272727 O0.136364 |
| Title of publication | Orthogonally aligned cyclic BODIPY arrays with long-lived triplet excited states as efficient heavy-atom-free photosensitizers |
| Authors of publication | Zhu, Zhaoyang; Zhang, Xue; Guo, Xing; Wu, Qinghua; Li, Zhongxin; Yu, Changjiang; Hao, Erhong; Jiao, Lijuan; Zhao, Jianzhang |
| Journal of publication | Chemical Science |
| Year of publication | 2021 |
| a | 12.2187 ± 0.0005 Å |
| b | 13.6971 ± 0.0005 Å |
| c | 20.7232 ± 0.0008 Å |
| α | 102.574 ± 0.002° |
| β | 90.075 ± 0.002° |
| γ | 90.745 ± 0.002° |
| Cell volume | 3384.8 ± 0.2 Å3 |
| Cell temperature | 273 ± 2 K |
| Ambient diffraction temperature | 273.15 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1697 |
| Residual factor for significantly intense reflections | 0.1224 |
| Weighted residual factors for significantly intense reflections | 0.3463 |
| Weighted residual factors for all reflections included in the refinement | 0.3693 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.715 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 270530 (current) | 2021-11-09 | cif/ Adding structures of 1565135, 1565136, 1565137 via cif-deposit CGI script. |
1565135.cif |
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Users of the data should acknowledge the original authors of the
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