Information card for entry 4105585

Structure parameters

• Common name: 96202
• Formula: C41 H62 O8 Si2
• Calculated formula: C41 H62 O8 Si2
• SMILES: [Si](O[C@@H]1C[C@H](O[C@H](C1)[C@H]1OC(OC1)(C)C)C[C@H]1O[C@H](CC(=O)OC)C=C(O[Si](C)(C(C)(C)C)C)C1)(c1ccccc1)(C(C)(C)C)c1ccccc1
• Title of publication: Total Synthesis of Phorboxazole A via de Novo Oxazole Formation: Strategy and Component Assembly
• Authors of publication: Bo Wang; T. Matthew Hansen; Ting Wang; Dimao Wu; Lynn Weyer; Lu Ying; Mary M. Engler; Melissa Sanville; Christopher Leitheiser; Mathias Christmann; Yingtao Lu; Jiehao Chen; Nicholas Zunker; Russell D. Cink; Feryan Ahmed; Chi-Sing Lee; Craig J. Forsyth
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2011
• Journal volume: 133
• Pages of publication: 1484 - 1505
• a: 15.3315 ± 0.0009 Å
• b: 8.2072 ± 0.0005 Å
• c: 17.2595 ± 0.0011 Å
• α: 90°
• β: 99.414 ± 0.001°
• γ: 90°
• Cell volume: 2142.5 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.2103
• Residual factor for significantly intense reflections: 0.094
• Weighted residual factors for all reflections: 0.1952
• Weighted residual factors for significantly intense reflections: 0.1477
• Goodness-of-fit parameter for all reflections: 0.953
• Goodness-of-fit parameter for significantly intense reflections: 1.171
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No