Information card for entry 4118360

Structure parameters

• Chemical name: ((2S,3S,4S,5S,6R)-3-acetoxy-4,5-bis(benzyloxy)-2-methoxy-2-oxido-1,2- oxaphosphinan-6-yl)methyl acetate
• Formula: C24 H29 O9 P
• Calculated formula: C24 H29 O9 P
• SMILES: [P@]1(=O)(OC)O[C@@H]([C@@H](OCc2ccccc2)[C@@H]([C@H]1OC(=O)C)OCc1ccccc1)COC(=O)C
• Title of publication: Synthesis, Characterization, and Coupling Reactions of Six-Membered Cyclic P-Chiral Ammonium Phosphonite-Boranes; Reactive H-Phosphinate Equivalents for the Stereoselective Synthesis of Glycomimetics
• Authors of publication: Angélique Ferry; Xavier Guinchard; Pascal Retailleau; David Crich
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2012
• Journal volume: 134
• Pages of publication: 12289 - 12301
• a: 5.2851 ± 0.0001 Å
• b: 11.5055 ± 0.0003 Å
• c: 42.054 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2557.2 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0836
• Residual factor for significantly intense reflections: 0.0518
• Weighted residual factors for significantly intense reflections: 0.1029
• Weighted residual factors for all reflections included in the refinement: 0.1289
• Goodness-of-fit parameter for all reflections included in the refinement: 1.152
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No