Information card for entry 4503623

Structure parameters

• Common name: stanolone L-tartaric acid 1:1 cocrystal
• Chemical name: 17B-hydroxy-5A-androstan-3-one L-tartaric acid
• Formula: C23 H36 O8
• Calculated formula: C23 H36 O8
• SMILES: O=C1CC[C@]2([C@H](C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2O)C)C.O[C@@H](C(=O)O)[C@@H](O)C(=O)O
• Title of publication: Cocrystal Screening of Stanolone and Mestanolone Using Slurry Crystallization
• Authors of publication: Takata, Noriyuki; Shiraki, Koji; Takano, Ryusuke; Hayashi, Yoshiki; Terada, Katsuhide
• Journal of publication: Crystal Growth & Design
• Year of publication: 2008
• Journal volume: 8
• Journal issue: 8
• Pages of publication: 3032
• a: 29.956 ± 0.003 Å
• b: 12.2104 ± 0.0014 Å
• c: 6.1754 ± 0.0006 Å
• α: 90°
• β: 94.127 ± 0.009°
• γ: 90°
• Cell volume: 2252.9 ± 0.4 ų
• Cell temperature: 298.1 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for significantly intense reflections: 0.0407
• Weighted residual factors for all reflections included in the refinement: 0.102
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No