Information card for entry 4131305

Structure parameters

• Formula: C17 H18 F O7
• Calculated formula: C17 H19 F O7
• SMILES: Fc1ccc(cc1)[C@@H]1O[C@H](COC(=O)C)[C@@H](OC(=O)C)[C@H]1OC(=O)C
• Title of publication: Synthesis of Aryl C-Glycosides via Iron-Catalyzed Cross Coupling of Halosugars: Stereoselective Anomeric Arylation of Glycosyl Radicals.
• Authors of publication: Adak, Laksmikanta; Kawamura, Shintaro; Toma, Gabriel; Takenaka, Toshio; Isozaki, Katsuhiro; Takaya, Hikaru; Orita, Akihiro; Li, Ho C.; Shing, Tony K. M.; Nakamura, Masaharu
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• Journal volume: 139
• Journal issue: 31
• Pages of publication: 10693 - 10701
• a: 7.8203 ± 0.0017 Å
• b: 11.336 ± 0.003 Å
• c: 19.356 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1715.9 ± 0.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0334
• Residual factor for significantly intense reflections: 0.0327
• Weighted residual factors for significantly intense reflections: 0.0887
• Weighted residual factors for all reflections included in the refinement: 0.0896
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No