Information card for entry 4024725

Structure parameters

• Formula: C19 H12 O5
• Calculated formula: C19 H12 O5
• SMILES: [C@H]12[C@H](C(=O)c3coc4C(=O)c5c6CCC(=O)c6ccc5[C@@]1(c34)C)O2.[C@@H]12[C@@H](C(=O)c3coc4C(=O)c5c6CCC(=O)c6ccc5[C@]1(c34)C)O2
• Title of publication: Pentacyclic Furanosteroids: The Synthesis of Potential Kinase Inhibitors Related to Viridin and Wortmannolone
• Authors of publication: Yunhui Lang; Fabio E. S. Souza; Xinshe Xu; Nicholas J. Taylor; Abdeljalil Assoud; Russell Rodrigo
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2009
• Journal volume: 74
• Pages of publication: 5429 - 5439
• a: 7.7207 ± 0.0018 Å
• b: 9.454 ± 0.002 Å
• c: 10.226 ± 0.002 Å
• α: 105.303 ± 0.006°
• β: 92.306 ± 0.006°
• γ: 101.349 ± 0.005°
• Cell volume: 702.5 ± 0.3 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0926
• Residual factor for significantly intense reflections: 0.0583
• Weighted residual factors for significantly intense reflections: 0.0683
• Weighted residual factors for all reflections included in the refinement: 0.0719
• Goodness-of-fit parameter for all reflections included in the refinement: 1.39
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No