Information card for entry 4024710

Structure parameters

• Formula: C25 H32 O4.5 Si
• Calculated formula: C25 H32 O4.5 Si
• SMILES: [Si](OCC[C@H]1OC(=O)C=C(O)C1(C)C)(C(C)(C)C)(c1ccccc1)c1ccccc1.O
• Title of publication: Progress toward the Total Synthesis of Psymberin/Irciniastatin A
• Authors of publication: Lauren E. Brown; Yakira R. Landaverry; James R. Davies; Kristin A. Milinkevich; Sandra Ast; Joseph S. Carlson; Allen G. Oliver; Joseph P. Konopelski
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2009
• Journal volume: 74
• Pages of publication: 5405 - 5410
• a: 8.06 ± 0.002 Å
• b: 8.128 ± 0.002 Å
• c: 20.018 ± 0.006 Å
• α: 89.896 ± 0.004°
• β: 81.309 ± 0.004°
• γ: 73.202 ± 0.004°
• Cell volume: 1239.8 ± 0.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.087
• Residual factor for significantly intense reflections: 0.054
• Weighted residual factors for significantly intense reflections: 0.1109
• Weighted residual factors for all reflections included in the refinement: 0.1268
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No