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Information card for entry 4510889
Preview
Coordinates | 4510889.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C22.5 H36.5 N2.5 O2 |
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Calculated formula | C22.5 H36.5 N2.5 O2 |
SMILES | O[C@@]1([C@]2(CC[C@@H]3[C@]4(Cc5cn[nH]c5C[C@@H]4CC[C@H]3[C@@H]2CC1)C)C)C.O=CN(C)C.O |
Title of publication | 17β-Hydroxy-17α-methylandrostano[3,2-c]pyrazole, Stanozolol: The Crystal Structures of Polymorphs 1 and 2 and 10 Solvates |
Authors of publication | Karpinska, Jolanta; Erxleben, Andrea; McArdle, Patrick |
Journal of publication | Crystal Growth & Design |
Year of publication | 2011 |
Journal volume | 11 |
Journal issue | 7 |
Pages of publication | 2829 |
a | 10.4243 ± 0.001 Å |
b | 7.4432 ± 0.0005 Å |
c | 27.018 ± 0.002 Å |
α | 90° |
β | 94.069 ± 0.009° |
γ | 90° |
Cell volume | 2091 ± 0.3 Å3 |
Cell temperature | 298 ± 2 K |
Ambient diffraction temperature | 298 ± 2 K |
Number of distinct elements | 4 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0668 |
Residual factor for significantly intense reflections | 0.0493 |
Weighted residual factors for significantly intense reflections | 0.1208 |
Weighted residual factors for all reflections included in the refinement | 0.1327 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.025 |
Diffraction radiation wavelength | 0.7107 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4510889.html
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Users of the data should acknowledge the original authors of the
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