Information card for entry 4105583

Structure parameters

• Common name: 97051a
• Formula: C23 H39 N O7
• Calculated formula: C23 H39 N O7
• SMILES: COC(=O)C[C@H]1[C@H](C)[C@H](O)[C@@H](C)[C@@H](O1)C(=C\[C@@H]1COC(C)(C)N1C(=O)OC(C)(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: 6.0541 ± 0.0002 Å
• b: 14.8692 ± 0.0005 Å
• c: 33.1481 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2983.98 ± 0.16 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0896
• Residual factor for significantly intense reflections: 0.0578
• Weighted residual factors for all reflections: 0.1417
• Weighted residual factors for significantly intense reflections: 0.133
• Goodness-of-fit parameter for all reflections: 0.974
• Goodness-of-fit parameter for significantly intense reflections: 1.196
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No