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Information card for entry 4510891
Preview
Coordinates | 4510891.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C25 H40 N2 O5 |
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Calculated formula | C25 H40 N2 O5 |
SMILES | O[C@@]1([C@]2(CC[C@@H]3[C@]4(Cc5c[nH]nc5C[C@@H]4CC[C@H]3[C@@H]2CC1)C)C)C.O=C(O)C.O=C(O)C |
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 | 10.3775 ± 0.0008 Å |
b | 7.4347 ± 0.0006 Å |
c | 15.5801 ± 0.0008 Å |
α | 90° |
β | 91.895 ± 0.006° |
γ | 90° |
Cell volume | 1201.4 ± 0.15 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 | 0.0921 |
Residual factor for significantly intense reflections | 0.0504 |
Weighted residual factors for significantly intense reflections | 0.0824 |
Weighted residual factors for all reflections included in the refinement | 0.09 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.875 |
Diffraction radiation wavelength | 0.7107 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4510891.html
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Users of the data should acknowledge the original authors of the
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