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Information card for entry 2022616
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| Coordinates | 2022616.cif |
|---|---|
| Structure factors | 2022616.hkl |
| Original IUCr paper | HTML |
| Common name | Turinabol acetic acid solvate hydrate |
|---|---|
| Chemical name | 4-Chloro-17β-hydroxy-17α-methylandrosta-1,4-dien-3-one acetic acid hemisolvate hemihydrate |
| Formula | C42 H60 Cl2 O7 |
| Calculated formula | C42 H60 Cl2 O7 |
| Title of publication | Solid forms and β-cyclodextrin complexation of turinabol |
| Authors of publication | Turza, Alexandru; Ulici, Adelina; Muresan-Pop, Marieta; Borodi, Gheorghe |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2022 |
| Journal volume | 78 |
| Journal issue | 5 |
| Pages of publication | 305 - 313 |
| a | 10.70311 ± 0.0001 Å |
| b | 10.70311 ± 0.0001 Å |
| c | 68.7275 ± 0.0008 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 7873.19 ± 0.14 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 96 |
| Hermann-Mauguin space group symbol | P 43 21 2 |
| Hall space group symbol | P 4nw 2abw |
| Residual factor for all reflections | 0.0451 |
| Residual factor for significantly intense reflections | 0.0417 |
| Weighted residual factors for significantly intense reflections | 0.0959 |
| Weighted residual factors for all reflections included in the refinement | 0.0978 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.06 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 275878 (current) | 2022-06-07 | cif/ hkl/ Adding structures of 2022614, 2022615, 2022616, 2022617 via cif-deposit CGI script. |
2022616.cif 2022616.hkl |
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