Information card for entry 4024723

Structure parameters

• Formula: C43 H46 N4 O15 Os2
• Calculated formula: C43 H46 N4 O15 Os2
• SMILES: [Os]12(O[C@H]3[C@H]([C@@H]([C@@]45[C@@H](OC6=C4[C@]3(c3c(C6=O)c4CCC(=O)c4cc3)C)O[Os]3(O5)(=O)(=O)[N](C)(C)CC[N]3(C)C)O)O1)(=O)(=O)[N](C)(C)CC[N]2(C)C.O1CCCC1.O1CCCC1.O1CCCC1.[Os]12(O[C@@H]3[C@@H]([C@H]([C@]45[C@H](OC6=C4[C@@]3(c3c(C6=O)c4CCC(=O)c4cc3)C)O[Os]3(O5)(=O)(=O)[N](C)(C)CC[N]3(C)C)O)O1)(=O)(=O)[N](C)(C)CC[N]2(C)C.O1CCCC1.O1CCCC1.O1CCCC1
• 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: 21.5067 ± 0.0017 Å
• b: 16.3341 ± 0.0013 Å
• c: 26.994 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9482.9 ± 1.3 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1109
• Residual factor for significantly intense reflections: 0.0691
• Weighted residual factors for significantly intense reflections: 0.1116
• Weighted residual factors for all reflections included in the refinement: 0.1178
• Goodness-of-fit parameter for all reflections included in the refinement: 1.289
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No