Information card for entry 2006958

Structure parameters

• Chemical name: 4-Hydroxy-D-homo-17a-oxaandrost-4-ene-3,17-dione
• Formula: C19 H26 O4
• Calculated formula: C19 H26 O4
• SMILES: C1CC(=O)C(=C2CC[C@@H]3[C@@H]([C@@]12C)CC[C@]1([C@H]3CCC(=O)O1)C)O
• Title of publication: 4-Hydroxy-17a-oxa-17a-homoandrost-4-ene-3,17-dione
• Authors of publication: Paixão, J. A.; Andrade, L. C. R.; de Almeida, M. J.; Tavares da Silva, E. J.; Sá e Melo, M. L.; Campos Neves, A. S.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 1
• Pages of publication: 92 - 93
• a: 7.433 ± 0.003 Å
• b: 12.128 ± 0.005 Å
• c: 17.826 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1607 ± 1 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: 0.064
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for all reflections: 0.078
• Weighted residual factors for all reflections included in the refinement: 0.078
• Goodness-of-fit parameter for all reflections: 1.043
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No