Information card for entry 7154611

Structure parameters

• Formula: C31 H40 N O9 P S
• Calculated formula: C31 H40 N O9 P S
• SMILES: S(=O)(=O)(N[C@@H]1[C@@H](O[P@@](=O)(c2ccccc2)C)[C@@H]2O[C@@H](OC[C@H]2O[C@@H]1OC)c1ccccc1)c1ccc(cc1)C.OC(C)C
• Title of publication: d-Glucosamine as a novel chiral auxiliary for the stereoselective synthesis of P-stereogenic phosphine oxides.
• Authors of publication: D'Onofrio, A; Copey, L.; Jean-Gérard, L; Goux-Henry, C; Pilet, G.; Andrioletti, B.; Framery, E.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2015
• Journal volume: 13
• Journal issue: 34
• Pages of publication: 9029 - 9034
• a: 10.2628 ± 0.0005 Å
• b: 8.9164 ± 0.0004 Å
• c: 18.5939 ± 0.0009 Å
• α: 90°
• β: 105.023 ± 0.005°
• γ: 90°
• Cell volume: 1643.32 ± 0.14 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0738
• Residual factor for significantly intense reflections: 0.0511
• Weighted residual factors for all reflections: 0.0546
• Weighted residual factors for significantly intense reflections: 0.0436
• Weighted residual factors for all reflections included in the refinement: 0.0406
• Goodness-of-fit parameter for all reflections included in the refinement: 1.153
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No