Information card for entry 4118363

Structure parameters

• Chemical name: Triethylammonium (2R,3S,4S,5S,6R)-2-borane-3-acetoxy-4,5-bis(benzyloxy)-6- ((benzyloxy)methyl)-1,2-oxaphosphinan-2-olate
• Formula: C34 H49 B N O7 P
• Calculated formula: C34 H49 B N O7 P
• SMILES: [P@]1(=O)(O[C@@H]([C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OC(=O)C)COCc1ccccc1)[BH3].[NH+](CC)(CC)CC
• 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: 9.1046 ± 0.0005 Å
• b: 12.9502 ± 0.0006 Å
• c: 30.533 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3600 ± 0.4 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 6
• 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: 0.0841
• Residual factor for significantly intense reflections: 0.0591
• Weighted residual factors for significantly intense reflections: 0.1314
• Weighted residual factors for all reflections included in the refinement: 0.152
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No