Information card for entry 4026544

Structure parameters

• Common name: 08003
• Formula: C26 H46 O4 Si
• Calculated formula: C26 H46 O4 Si
• SMILES: [Si](O[C@H]1[C@]2(O[C@H]3C([C@H]1O)=C([C@]([C@@H](C3)C)(CCC(=CCC2)C)C)CO)C)(CC)(CC)CC.[Si](O[C@@H]1[C@@]2(O[C@@H]3C([C@@H]1O)=C([C@@]([C@H](C3)C)(CCC(=CCC2)C)C)CO)C)(CC)(CC)CC
• Title of publication: Total Synthesis of (\±)-Phomactin A. Lessons Learned from Respecting a Challenging Structural Topology
• Authors of publication: Grant S. Buchanan; Kevin P. Cole; Yu Tang; Richard P. Hsung
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2011
• Journal volume: 76
• Pages of publication: 7027 - 7039
• a: 7.8063 ± 0.0005 Å
• b: 12.4919 ± 0.0009 Å
• c: 14.4086 ± 0.001 Å
• α: 68.686 ± 0.001°
• β: 79.523 ± 0.001°
• γ: 74.993 ± 0.001°
• Cell volume: 1258.29 ± 0.15 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0716
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.1003
• Weighted residual factors for all reflections included in the refinement: 0.1147
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No