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Information card for entry 1576362
Preview
| Coordinates | 1576362.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C57 H42 N6 O |
|---|---|
| Calculated formula | C52 H30 N6 |
| Title of publication | Fine-Tuning J-Aggregation via Steric Hindrance for High-Efficiency NIR-II Bioimaging and Photothermal Therapy |
| Authors of publication | Xia, Wen-Li; Ran, Xiaoyun; Zhao, Yu; Zhang, Hong; Zhou, Qian; Yu, Xiao-Qi; Li, Kun |
| Journal of publication | Materials Horizons |
| Year of publication | 2026 |
| a | 12.354 ± 0.003 Å |
| b | 19.366 ± 0.003 Å |
| c | 18.938 ± 0.004 Å |
| α | 90° |
| β | 98.148 ± 0.009° |
| γ | 90° |
| Cell volume | 4485.1 ± 1.6 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.1148 |
| Residual factor for significantly intense reflections | 0.0796 |
| Weighted residual factors for significantly intense reflections | 0.2025 |
| Weighted residual factors for all reflections included in the refinement | 0.2345 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.019 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 303996 (current) | 2025-12-02 | cif/ Adding structures of 1576362, 1576363 via cif-deposit CGI script. |
1576362.cif |
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