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Information card for entry 1569084
Preview
| Coordinates | 1569084.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C51 H82 O46.5 |
|---|---|
| Calculated formula | C51 H82 O46.5 |
| Title of publication | 17-β-Estradiol—β-Cyclodextrin Complex as Solid: Synthesis, Structural and Physicochemical Characterization |
| Authors of publication | Mazurek, Anna Helena; Szeleszczuk, Łukasz; Bethanis, Kostas; Christoforides, Elias; Dudek, Marta Katarzyna; Zielińska-Pisklak, Monika; Pisklak, Dariusz Maciej |
| Journal of publication | Molecules |
| Year of publication | 2023 |
| Journal volume | 28 |
| Journal issue | 9 |
| Pages of publication | 3747 |
| a | 19.1245 ± 0.0015 Å |
| b | 24.418 ± 0.0018 Å |
| c | 15.6004 ± 0.0011 Å |
| α | 90° |
| β | 109.5 ± 0.005° |
| γ | 90° |
| Cell volume | 6867.2 ± 0.9 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 5 |
| Hermann-Mauguin space group symbol | C 1 2 1 |
| Hall space group symbol | C 2y |
| Residual factor for all reflections | 0.104 |
| Residual factor for significantly intense reflections | 0.0952 |
| Weighted residual factors for significantly intense reflections | 0.2591 |
| Weighted residual factors for all reflections included in the refinement | 0.2688 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 283558 (current) | 2023-05-06 | cif/ Adding structures of 1569084 via cif-deposit CGI script. |
1569084.cif |
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Users of the data should acknowledge the original authors of the
structural data.