Information card for entry 4131304

Structure parameters

• Formula: C17 H21 O7
• Calculated formula: C17 H20 O7
• SMILES: O1[C@H]([C@H](OC(=O)C)[C@H](OC(=O)C)[C@H](OC(=O)C)C1)c1ccccc1
• 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: 11.833 ± 0.0015 Å
• b: 11.833 ± 0.0015 Å
• c: 24.665 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3453.6 ± 0.8 ų
• Cell temperature: 113 K
• Ambient diffraction temperature: 113 K
• Number of distinct elements: 3
• Space group number: 92
• Hermann-Mauguin space group symbol: P 41 21 2
• Hall space group symbol: P 4abw 2nw
• Residual factor for significantly intense reflections: 0.0369
• Weighted residual factors for all reflections included in the refinement: 0.1135
• Goodness-of-fit parameter for all reflections included in the refinement: 1.105
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No