Information card for entry 7104836

Structure parameters

• Common name: N-Tosyl-(1-methyl-2-hydroxy-5-phenyl-4-pentynyl)glycine ethyl ester
• Formula: C23 H27 N O5 S
• Calculated formula: C23 H27 N O5 S
• Title of publication: A stereoselective synthesis of anti-γ,δ-alkynyl- and -alkenyl-β-hydroxy-α-amino esters from tin(II) enolates of glycinate
• Authors of publication: Gridley, Jonathan J.; Coogan, Michael P.; Knight, David W.; Malik, K. M. Abdul; Sharland, Christopher M.; Singkhonrat, Jirada; Williams, Siân
• Journal of publication: Chemical Communications (Cambridge, United Kingdom)
• Year of publication: 2003
• Journal issue: 20
• Pages of publication: 2550 - 2551
• a: 34.33 ± 0.007 Å
• b: 13.75 ± 0.003 Å
• c: 19.899 ± 0.004 Å
• α: 90°
• β: 101.68 ± 0.03°
• γ: 90°
• Cell volume: 9199 ± 3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1088
• Residual factor for significantly intense reflections: 0.0648
• Weighted residual factors for significantly intense reflections: 0.1471
• Weighted residual factors for all reflections included in the refinement: 0.1671
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No