Information card for entry 4024724

Structure parameters

• Formula: C30 H22 Cl2 N2 O8 Os
• Calculated formula: C30 H22 Cl2 N2 O9 Os
• SMILES: [Os]12(=O)(=O)(O[C@@H]3[C@H](O1)[C@@]1(c4c(C(=O)c5occ(C3=O)c15)c1CCC(=O)c1cc4)C)[n]1c(c3[n]2cccc3)cccc1.ClCCl.O.[Os]12(=O)(=O)(O[C@H]3[C@@H](O1)[C@]1(c4c(C(=O)c5occ(C3=O)c15)c1CCC(=O)c1cc4)C)[n]1c(c3[n]2cccc3)cccc1.ClCCl.O
• 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: 9.005 ± 0.003 Å
• b: 11.524 ± 0.004 Å
• c: 13.821 ± 0.004 Å
• α: 90.433 ± 0.006°
• β: 95.747 ± 0.006°
• γ: 98.889 ± 0.005°
• Cell volume: 1409.6 ± 0.8 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1029
• Residual factor for significantly intense reflections: 0.0791
• Weighted residual factors for significantly intense reflections: 0.154
• Weighted residual factors for all reflections included in the refinement: 0.1592
• Goodness-of-fit parameter for all reflections included in the refinement: 1.489
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No