Information card for entry 2013930

Structure parameters

• Chemical name: Methyl 2,6-di-O-benzyl-3,4-O-phenylphosphinediyl-β-D-galactopyranoside (P—B)borane
• Formula: C27 H32 B O6 P
• Calculated formula: C27 H32 B O6 P
• SMILES: [C@@H]1([C@@H]([C@@H]2[C@H]([C@@H](COCc3ccccc3)O1)O[P@@](c1ccccc1)(O2)B)OCc1ccccc1)OC
• Title of publication: Methyl 2,6-di-<i>O</i>-benzyl-3,4-<i>O</i>-phenylphosphinediyl-β-<small>D</small>-galactopyranoside(<i>P</i>—<i>B</i>)borane with chirality on the P atom
• Authors of publication: Johansson, Magnus J.; Bergh, Anders; Larsson, Krister
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 5
• Pages of publication: o312 - o314
• a: 10.7567 ± 0.0019 Å
• b: 9.8 ± 0.009 Å
• c: 12.926 ± 0.004 Å
• α: 90°
• β: 96.63 ± 0.02°
• γ: 90°
• Cell volume: 1353.5 ± 1.3 ų
• Cell temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for significantly intense reflections: 0.0482
• Weighted residual factors for all reflections included in the refinement: 0.1435
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes