Information card for entry 4131128

Structure parameters

• Formula: C11 H13 F3 N4 O3
• Calculated formula: C11 H13 F3 N4 O3
• SMILES: FC(F)(F)C(=O)/N=C(/n1nccc1)NC(=O)OC(C)(C)C
• Title of publication: 11-Step Total Synthesis of Araiosamines.
• Authors of publication: Tian, Maoqun; Yan, Ming; Baran, Phil S.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2016
• Journal volume: 138
• Journal issue: 43
• Pages of publication: 14234 - 14237
• a: 9.4581 ± 0.0003 Å
• b: 9.4581 ± 0.0003 Å
• c: 26.7583 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 2072.99 ± 0.11 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 170
• Hermann-Mauguin space group symbol: P 65
• Hall space group symbol: P 65
• Residual factor for all reflections: 0.0223
• Residual factor for significantly intense reflections: 0.0221
• Weighted residual factors for significantly intense reflections: 0.0537
• Weighted residual factors for all reflections included in the refinement: 0.0538
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No