Information card for entry 1546765

Structure parameters

• Formula: C27 H28 N4 O7
• Calculated formula: C27 H28 N4 O7
• SMILES: [C@]12([C@H]3C=C[C@@H]([C@@H]([C@@H]1[C@H]1CCCC[C@H]1C\2=N\Nc1c(cc(cc1)N(=O)=O)N(=O)=O)O3)OCc1ccccc1)O
• Title of publication: Asymmetric syntheses of 8-oxabicyclo[3,2,1]octane and 11-oxatricyclo[5.3.1.0]undecane from glycals
• Authors of publication: Liao, Hongze; Leng, Wei-Lin; Le Mai Hoang, Kim; Yao, Hui; He, Jingxi; Voo, Amanda Ying Hui; Liu, Xue-Wei
• Journal of publication: Chem. Sci.
• Year of publication: 2017
• a: 5.5338 ± 0.0006 Å
• b: 16.6117 ± 0.0017 Å
• c: 26.533 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2439.1 ± 0.5 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 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: 0.052
• Residual factor for significantly intense reflections: 0.0471
• Weighted residual factors for significantly intense reflections: 0.1278
• Weighted residual factors for all reflections included in the refinement: 0.1352
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No