Information card for entry 4510898

Structure parameters

• Formula: C25 H42 N2 O2
• Calculated formula: C25 H42 N2 O2
• SMILES: [nH]1nc2c(c1)C[C@@]1([C@H]3CC[C@@]4([C@@](O)(CC[C@H]4[C@@H]3CC[C@H]1C2)C)C)C.O[C@H](CC)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: 25.321 ± 0.002 Å
• b: 7.421 ± 0.002 Å
• c: 15.393 ± 0.002 Å
• α: 90°
• β: 123.4°
• γ: 90°
• Cell volume: 2414.8 ± 0.7 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0691
• Residual factor for significantly intense reflections: 0.0503
• Weighted residual factors for significantly intense reflections: 0.129
• Weighted residual factors for all reflections included in the refinement: 0.1418
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No