Information card for entry 1547164

Structure parameters

• Formula: C21 H20 F3 N O9
• Calculated formula: C21 H20 F3 N O9
• SMILES: FC(F)(F)Oc1ccc2n(c(=O)c3O[C@H](COC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)c3c2c1)C
• Title of publication: Intramolecular Pd-Catalyzed Anomeric C(sp(3))-H Activation of Glycosyl Carboxamides.
• Authors of publication: Probst, Nicolas; Grelier, Gwendal; Ghermani, NourEddine; Gandon, Vincent; Alami, Mouâd; Messaoudi, Samir
• Journal of publication: Organic letters
• Year of publication: 2017
• Journal volume: 19
• Journal issue: 19
• Pages of publication: 5038 - 5041
• a: 65.689 ± 0.008 Å
• b: 4.6345 ± 0.0005 Å
• c: 21.077 ± 0.002 Å
• α: 90°
• β: 100.837 ± 0.008°
• γ: 90°
• Cell volume: 6302.2 ± 1.2 ų
• Cell temperature: 303 ± 2 K
• Ambient diffraction temperature: 303 ± 2 K
• Number of distinct elements: 5
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.2266
• Residual factor for significantly intense reflections: 0.1107
• Weighted residual factors for significantly intense reflections: 0.2366
• Weighted residual factors for all reflections included in the refinement: 0.2972
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No