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Information card for entry 1575543
Preview
| Coordinates | 1575543.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C84 H114 B2 F4 N6 O6 |
|---|---|
| Calculated formula | C84 H113.999 B2 F4.0001 N6 O6 |
| Title of publication | Shortwave Infrared Absorbing and Fluorescent BODIPY J-Aggregates for High-Contrast in Vivo Imaging |
| Authors of publication | Jiang, Zhiyong; Ma, Xiangjun; Song, Kaixuan; Wang, Tianzhu; Dong, Mengxi; Liu, Hang; gao, hu; Wang, Xiaoqing; Zhao, Jing; Liu, Zhipeng |
| Journal of publication | Chemical Science |
| Year of publication | 2025 |
| a | 13.0684 ± 0.0006 Å |
| b | 33.8533 ± 0.0015 Å |
| c | 17.8305 ± 0.0008 Å |
| α | 90° |
| β | 90.248 ± 0.002° |
| γ | 90° |
| Cell volume | 7888.3 ± 0.6 Å3 |
| Cell temperature | 193 K |
| Ambient diffraction temperature | 193 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 | 0.1322 |
| Residual factor for significantly intense reflections | 0.0617 |
| Weighted residual factors for significantly intense reflections | 0.1332 |
| Weighted residual factors for all reflections included in the refinement | 0.1592 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.122 |
| Diffraction radiation wavelength | 1.34139 Å |
| Diffraction radiation type | GaKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301913 (current) | 2025-08-28 | cif/ Adding structures of 1575540, 1575541, 1575542, 1575543 via cif-deposit CGI script. |
1575543.cif |
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Users of the data should acknowledge the original authors of the
structural data.