Information card for entry 4510892

Structure parameters

• Formula: C24 H40 N2 O2
• Calculated formula: C24 H40 N2 O2
• 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.OC(C)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: 24.545 ± 0.001 Å
• b: 7.2894 ± 0.0003 Å
• c: 15.25 ± 0.0008 Å
• α: 90°
• β: 122.679 ± 0.007°
• γ: 90°
• Cell volume: 2296.6 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0375
• Residual factor for significantly intense reflections: 0.0318
• Weighted residual factors for significantly intense reflections: 0.0725
• Weighted residual factors for all reflections included in the refinement: 0.0739
• Goodness-of-fit parameter for all reflections included in the refinement: 0.98
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No