Information card for entry 4118362

Structure parameters

• Chemical name: 2S,3S,4S,5S,6R)-4,5-bis(benzyloxy)-6-((benzyloxy)methyl)-3-hydroxy-2- methoxy-1,2-oxaphosphinane 2-oxide
• Formula: C27 H31 O7 P
• Calculated formula: C27 H31 O7 P
• SMILES: [P@]1(=O)(OC)O[C@@H]([C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1O)COCc1ccccc1
• 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: 5.6687 ± 0.0007 Å
• b: 15.6022 ± 0.0017 Å
• c: 14.1563 ± 0.0017 Å
• α: 90°
• β: 90.501 ± 0.006°
• γ: 90°
• Cell volume: 1252 ± 0.3 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.2088
• Residual factor for significantly intense reflections: 0.1282
• Weighted residual factors for significantly intense reflections: 0.3031
• Weighted residual factors for all reflections included in the refinement: 0.37
• Goodness-of-fit parameter for all reflections included in the refinement: 1.159
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No