Information card for entry 4503625

Structure parameters

• Common name: mestanolone
• Chemical name: 17B-hydroxy-17A-methyl-5A-androstan-3-one
• Formula: C20 H32 O2
• Calculated formula: C20 H32 O2
• SMILES: O=C1CC[C@]2([C@H](C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@]2(O)C)C)C
• 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: 6.4321 ± 0.0006 Å
• b: 21.773 ± 0.002 Å
• c: 6.3848 ± 0.0008 Å
• α: 90°
• β: 104.482 ± 0.008°
• γ: 90°
• Cell volume: 865.76 ± 0.16 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: 0.035
• Weighted residual factors for all reflections included in the refinement: 0.0858
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No