Information card for entry 2008420

Structure parameters

• Chemical name: 4-oxa-3,17-dioxoandrostane-5α-carbaldehyde
• Formula: C19 H26 O4
• Calculated formula: C19 H26 O4
• Title of publication: 3,17-Dioxo-4-oxaandrostane-5α-carbaldehyde
• Authors of publication: Andrade, L. C. R.; Paixão, J. A.; 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: 1999
• Journal volume: 55
• Journal issue: 4
• Pages of publication: 637 - 639
• a: 6.893 ± 0.004 Å
• b: 18.222 ± 0.008 Å
• c: 6.981 ± 0.003 Å
• α: 90°
• β: 108.05 ± 0.05°
• γ: 90°
• Cell volume: 833.7 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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 all reflections: 0.0728
• Residual factor for significantly intense reflections: 0.0403
• Weighted residual factors for all reflections included in the refinement: 0.1128
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes