Information card for entry 4105586

Structure parameters

• Common name: 97329b
• Formula: C55 H74 N2 O10 Si
• Calculated formula: C55 H74 N2 O10 Si
• Title of publication: Total Synthesis of Phorboxazole A via de Novo Oxazole Formation: Convergent Total Synthesis
• Authors of publication: Bo Wang; T. Matthew Hansen; Lynn Weyer; Dimao Wu; Ting Wang; Mathias Christmann; Yingtao Lu; Lu Ying; Mary M. Engler; Russell D. Cink; Chi-Sing Lee; Feryan Ahmed; Craig J. Forsyth
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2011
• Journal volume: 133
• Pages of publication: 1506 - 1516
• a: 21.3411 ± 0.0002 Å
• b: 21.3411 ± 0.0002 Å
• c: 27.0738 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 12330.6 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 79
• Hermann-Mauguin space group symbol: I 4
• Hall space group symbol: I 4
• Residual factor for all reflections: 0.1186
• Residual factor for significantly intense reflections: 0.0712
• Weighted residual factors for all reflections: 0.1939
• Weighted residual factors for significantly intense reflections: 0.1711
• Goodness-of-fit parameter for all reflections: 1.008
• Goodness-of-fit parameter for significantly intense reflections: 1.21
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No