Information card for entry 2008471

Structure parameters

• Common name: androst-4-ene-3,6,17-trione
• Chemical name: Androst-4-ene-3,6,17-trione
• Formula: C19 H24 O3
• Calculated formula: C19 H24 O3
• SMILES: C1CC(=O)C=C2C(=O)C[C@@H]3[C@@H]([C@@]12C)CC[C@]1([C@H]3CCC1=O)C
• Title of publication: Androst-4-ene-3,6,17-trione
• Authors of publication: Addlagatta Anthony; Mariusz Jaskólski; Ashwini Nangia
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 5
• Pages of publication: 787 - 789
• a: 7.2842 ± 0.0006 Å
• b: 13.45 ± 0.001 Å
• c: 16.503 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1616.8 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.042
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for all reflections included in the refinement: 0.101
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No