Information card for entry 1545254

Structure parameters

• Formula: C26 H29 N O9 S
• Calculated formula: C26 H29 N O9 S
• SMILES: S(=O)(=O)(N1[C@@H]2[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H](O[C@@H]2c2ccccc2C1)COC(=O)C)c1ccc(cc1)C
• Title of publication: HF-Induced Intramolecular C-Arylation and C-Alkylation/Fluorination of 2-Aminoglycopyranoses.
• Authors of publication: Probst, Nicolas; Martin, Amélie; Désiré, Jérôme; Mingot, Agnès; Marrot, Jérôme; Blériot, Yves; Thibaudeau, Sébastien
• Journal of publication: Organic letters
• Year of publication: 2017
• Journal volume: 19
• Journal issue: 5
• Pages of publication: 1040 - 1043
• a: 10.8723 ± 0.0002 Å
• b: 8.4197 ± 0.0002 Å
• c: 14.4418 ± 0.0003 Å
• α: 90°
• β: 93.434 ± 0.001°
• γ: 90°
• Cell volume: 1319.65 ± 0.05 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0662
• Residual factor for significantly intense reflections: 0.0485
• Weighted residual factors for significantly intense reflections: 0.1103
• Weighted residual factors for all reflections included in the refinement: 0.1197
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No