Information card for entry 7150036

Structure parameters

• Chemical name: 3-(Diethoxy-phosphoryl)-3-methyl-4-oxo-2-(toluene-4-sulfonylamino)- pentanoic acid ethyl ester
• Formula: C19 H30 N O8 P S
• Calculated formula: C19 H30 N O8 P S
• Title of publication: Catalytic asymmetric addition of beta-keto phosphonates to an activated imine‒formation of optically active functionalized phosphonate alpha-amino acid derivatives.
• Authors of publication: Kjaersgaard, Anne; Jørgensen, Karl Anker
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2005
• Journal volume: 3
• Journal issue: 5
• Pages of publication: 804 - 808
• a: 7.997 ± 0.002 Å
• b: 12.221 ± 0.002 Å
• c: 11.812 ± 0.002 Å
• α: 90°
• β: 100.647 ± 0.004°
• γ: 90°
• Cell volume: 1134.5 ± 0.4 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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 significantly intense reflections: 0.033
• Weighted residual factors for all reflections included in the refinement: 0.048
• Goodness-of-fit parameter for all reflections included in the refinement: 1.188
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No