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Information card for entry 7250890
Preview
| Coordinates | 7250890.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C27 H31 B Br2 F2 N2 O5 |
|---|---|
| Calculated formula | C27 H31 B Br2 F2 N2 O5 |
| Title of publication | A sodium ion-selective photosensitizer: Dibrominated F-BODIPY as a fluorescence imaging and therapeutic agent |
| Authors of publication | Schwarze, Thomas; Al Akrami, Mazen; Heinrich, Julian; Hergl, Vinja; Sperlich, Eric; Kelling, Alexandra; Sprenger, Tobias; Jahn, Nicolas; Klamroth, Tillmann; Kulak, Nora |
| Journal of publication | Physical Chemistry Chemical Physics |
| Year of publication | 2025 |
| a | 9.5353 ± 0.0004 Å |
| b | 9.0085 ± 0.0003 Å |
| c | 33.0864 ± 0.0015 Å |
| α | 90° |
| β | 96.222 ± 0.003° |
| γ | 90° |
| Cell volume | 2825.3 ± 0.2 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 K |
| Number of distinct elements | 7 |
| Space group number | 7 |
| Hermann-Mauguin space group symbol | P 1 c 1 |
| Hall space group symbol | P -2yc |
| Residual factor for all reflections | 0.1563 |
| Residual factor for significantly intense reflections | 0.0597 |
| Weighted residual factors for significantly intense reflections | 0.1015 |
| Weighted residual factors for all reflections included in the refinement | 0.1242 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.977 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 302220 (current) | 2025-09-23 | cif/ Adding structures of 7250890, 7250891 via cif-deposit CGI script. |
7250890.cif |
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Users of the data should acknowledge the original authors of the
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