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Information card for entry 1575078
Preview
| Coordinates | 1575078.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C30 H25 B Br2 F2 N2 O3 |
|---|---|
| Calculated formula | C30 H25 B Br2 F2 N2 O3 |
| Title of publication | Phototoxicity of Hydroxymethyl-BODIPYs: Are Photocages That Innocent? |
| Authors of publication | Kuznetsov, Kirill M.; Mesdom, Pierre; Purkait, Kallol; Blacque, Olivier; Winter, Arthur H.; Cariou, Kevin; Gasser, Gilles |
| Journal of publication | Chemical Science |
| Year of publication | 2025 |
| a | 7.88303 ± 0.00017 Å |
| b | 9.5602 ± 0.0003 Å |
| c | 36.0425 ± 0.0008 Å |
| α | 90° |
| β | 93.3839 ± 0.0019° |
| γ | 90° |
| Cell volume | 2711.55 ± 0.12 Å3 |
| Cell temperature | 160 ± 0.1 K |
| Ambient diffraction temperature | 160 ± 0.1 K |
| Number of distinct elements | 7 |
| 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 | 0.0669 |
| Residual factor for significantly intense reflections | 0.0572 |
| Weighted residual factors for significantly intense reflections | 0.1396 |
| Weighted residual factors for all reflections included in the refinement | 0.1441 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.194 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301236 (current) | 2025-07-12 | cif/ Adding structures of 1575078 via cif-deposit CGI script. |
1575078.cif |
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Users of the data should acknowledge the original authors of the
structural data.