Information card for entry 1555314

Structure parameters

• Formula: C20 H18 F3 N3 O5
• Calculated formula: C20 H18 F3 N3 O5
• SMILES: Fc1cc(O[C@@H]2[C@@H](N=N#N)[C@H](OC)O[C@H]3[C@H]2O[C@@H](OC3)c2ccccc2)c(F)c(F)c1
• Title of publication: Nucleophilic Aromatic Substitution (SNAr) as an Approach to Challenging Carbohydrate-Aryl Ethers.
• Authors of publication: Henderson, Alexander S.; Medina, Sandra; Bower, John F.; Galan, M. Carmen
• Journal of publication: Organic letters
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 19
• Pages of publication: 4846 - 4849
• a: 8.1216 ± 0.0007 Å
• b: 11.5944 ± 0.001 Å
• c: 21.1982 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1996.1 ± 0.3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• 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: 0.0555
• Residual factor for significantly intense reflections: 0.0368
• Weighted residual factors for significantly intense reflections: 0.0712
• Weighted residual factors for all reflections included in the refinement: 0.0791
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No