Information card for entry 4024721

Structure parameters

• Formula: C22 H24 O5 Si
• Calculated formula: C22 H24 O5 Si
• SMILES: [C@H]1([C@H]([C@H](c2coc3C(=O)c4c5CCC(=O)c5ccc4[C@]1(c23)C)O)O)[Si](C)(C)C.[C@@H]1([C@@H]([C@@H](c2coc3C(=O)c4c5CCC(=O)c5ccc4[C@@]1(c23)C)O)O)[Si](C)(C)C
• 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: 17.0031 ± 0.0005 Å
• b: 10.8154 ± 0.0003 Å
• c: 12.0798 ± 0.0004 Å
• α: 90°
• β: 122.394 ± 0.002°
• γ: 90°
• Cell volume: 1875.73 ± 0.1 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 4
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0356
• Residual factor for significantly intense reflections: 0.0346
• Weighted residual factors for significantly intense reflections: 0.0717
• Weighted residual factors for all reflections included in the refinement: 0.072
• Goodness-of-fit parameter for all reflections included in the refinement: 1.468
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No