Information card for entry 7226789

Structure parameters

• Formula: C25 H37 N3 O5 S
• Calculated formula: C25 H37 N3 O5 S
• SMILES: [C@]1([C@]2(CC[C@@H]3[C@@]4([C@H](Cc5c(c[nH][nH+]5)C4)CC[C@H]3[C@@H]2CC1)C)C)(C)O.C1(=O)C=C(C)OS(=O)([O-])=N1
• Title of publication: Sweet pharmaceutical salts of stanozolol with enhanced solubility and physical stability
• Authors of publication: Kong, Minmin; Fu, Xue; Li, Jiaoyang; Li, Jianhui; Chen, Minhua; Deng, Zongwu; Zhang, Hailu
• Journal of publication: CrystEngComm
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 45
• Pages of publication: 8739
• a: 7.3761 ± 0.0005 Å
• b: 17.7987 ± 0.0015 Å
• c: 9.5359 ± 0.0009 Å
• α: 90°
• β: 98.633 ± 0.006°
• γ: 90°
• Cell volume: 1237.74 ± 0.18 ų
• Cell temperature: 223 ± 0.1 K
• Ambient diffraction temperature: 223 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0644
• Residual factor for significantly intense reflections: 0.0462
• Weighted residual factors for significantly intense reflections: 0.114
• Weighted residual factors for all reflections included in the refinement: 0.1345
• Goodness-of-fit parameter for all reflections included in the refinement: 0.825
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No