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Information card for entry 7044790
Preview
| Coordinates | 7044790.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C23 H15 B F2 N2 S4 |
|---|---|
| Calculated formula | C23 H15 B F2 N2 S4 |
| Title of publication | Bodipy Dyes with Thienyl- and Dithienythio-Substituents – Synthesis, Redox and Fluorescent Properties |
| Authors of publication | Leushina, Evgenia; Usoltsev, Ilya; Bezzubov, Stanislav; Moiseeva, Anna A.; Terenina, Maria; Anisimov, Alexander; Taidakov, Ilya V.; Khoroshutin, Andrey |
| Journal of publication | Dalton Transactions |
| Year of publication | 2017 |
| a | 10.9246 ± 0.0006 Å |
| b | 11.2207 ± 0.0007 Å |
| c | 18.6557 ± 0.0011 Å |
| α | 90° |
| β | 90.402 ± 0.001° |
| γ | 90° |
| Cell volume | 2286.8 ± 0.2 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0664 |
| Residual factor for significantly intense reflections | 0.0513 |
| Weighted residual factors for significantly intense reflections | 0.142 |
| Weighted residual factors for all reflections included in the refinement | 0.1557 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.08 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301850 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/04/ Each referenced PubChem compound corresponds to the full crystal structure. |
7044790.cif |
| 203319 | 2017-11-18 | cif/ Adding structures of 7044790 via cif-deposit CGI script. |
7044790.cif |
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Users of the data should acknowledge the original authors of the
structural data.