Information card for entry 4024720

Structure parameters

• Formula: C23 H30 O6 Si
• Calculated formula: C23 H30 O6 Si
• SMILES: [C@@]123[C@@H]4CCC(=O)C4=CC=C1[C@]([C@H]1[C@](OC[C@H]1[C@@H]2/C=C/[Si](C)(C)C)(C3=O)OC)(C)OO.[C@]123[C@H]4CCC(=O)C4=CC=C1[C@@]([C@@H]1[C@@](OC[C@@H]1[C@H]2/C=C/[Si](C)(C)C)(C3=O)OC)(C)OO
• 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: 7.6476 ± 0.0004 Å
• b: 14.7947 ± 0.0008 Å
• c: 19.1298 ± 0.0011 Å
• α: 90°
• β: 97.29 ± 0.001°
• γ: 90°
• Cell volume: 2146.9 ± 0.2 ų
• Cell temperature: 180 ± 1 K
• Ambient diffraction temperature: 180 ± 1 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: 0.0492
• Residual factor for significantly intense reflections: 0.0425
• Weighted residual factors for significantly intense reflections: 0.1007
• Weighted residual factors for all reflections included in the refinement: 0.1018
• Goodness-of-fit parameter for all reflections included in the refinement: 1.972
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No