Information card for entry 4024718

Structure parameters

• Formula: C22 H22 O3 Si
• Calculated formula: C22 H22 O3 Si
• SMILES: [C@H]1(C=Cc2coc3C(=O)c4c5CCC(=O)c5ccc4[C@]1(c23)C)[Si](C)(C)C.[C@@H]1(C=Cc2coc3C(=O)c4c5CCC(=O)c5ccc4[C@@]1(c23)C)[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: 7.809 ± 0.0005 Å
• b: 21.1057 ± 0.0012 Å
• c: 12.498 ± 0.0007 Å
• α: 90°
• β: 102.649 ± 0.001°
• γ: 90°
• Cell volume: 2009.9 ± 0.2 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0759
• Residual factor for significantly intense reflections: 0.0641
• Weighted residual factors for significantly intense reflections: 0.1291
• Weighted residual factors for all reflections included in the refinement: 0.1326
• Goodness-of-fit parameter for all reflections included in the refinement: 1.274
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No