Information card for entry 7154612

Structure parameters

• Formula: C27 H28 N O8 P S
• Calculated formula: C27 H28 N O8 P S
• SMILES: S(=O)(=O)(N1[P@](=O)(O[C@@H]2[C@@H]1[C@H](O[C@H]1[C@H]2O[C@@H](OC1)c1ccccc1)OC)c1ccccc1)c1ccc(cc1)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: 11.8008 ± 0.0005 Å
• b: 14.3566 ± 0.0008 Å
• c: 16.6799 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2825.9 ± 0.3 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 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: 0.1498
• Residual factor for significantly intense reflections: 0.0788
• Weighted residual factors for all reflections: 0.0806
• Weighted residual factors for significantly intense reflections: 0.0595
• Weighted residual factors for all reflections included in the refinement: 0.0536
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1191
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No