Information card for entry 4105584

Structure parameters

• Common name: 02139
• Formula: C25 H37 N O7
• Calculated formula: C25 H37 N O7
• SMILES: N1([C@H](COC1(C)C)[C@@H]1O[C@H](CC(=O)C1)CCOCc1ccc(OC)cc1)C(=O)OC(C)(C)C
• 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: 9.1219 ± 0.001 Å
• b: 9.797 ± 0.0011 Å
• c: 14.6276 ± 0.0016 Å
• α: 90°
• β: 98.977 ± 0.002°
• γ: 90°
• Cell volume: 1291.2 ± 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: 0.0309
• Residual factor for significantly intense reflections: 0.0295
• Weighted residual factors for significantly intense reflections: 0.0716
• Weighted residual factors for all reflections included in the refinement: 0.0723
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No