Information card for entry 4031832

Structure parameters

• Chemical name: (S)-3-((2R,5S)-5-(4-fluorophenyl)-2-((S)-((4-iodophenyl)amino) (4-((trimethylsilyl)oxy) phenyl)methyl)-5-((trimethylsilyl)oxy) pentanoyl)-4-phenyloxazolidin-2-one
• Formula: C39 H46 F I N2 O5 Si2
• Calculated formula: C39 H46 F I N2 O5 Si2
• Title of publication: Promotion of a Ti-Mediated Mannich Reaction by a Proton Source.
• Authors of publication: Limanto, John; Yoshikawa, Naoki; Reamer, Robert A.; Tan, Lushi; Brunskill, Andrew; Reibarkh, Mikhail
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2016
• Journal volume: 81
• Journal issue: 2
• Pages of publication: 723 - 728
• a: 5.7152 ± 0.0003 Å
• b: 15.4683 ± 0.0007 Å
• c: 22.7213 ± 0.001 Å
• α: 81.5151 ± 0.0014°
• β: 89.504 ± 0.0016°
• γ: 89.5445 ± 0.0014°
• Cell volume: 1986.56 ± 0.16 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0571
• Residual factor for significantly intense reflections: 0.0564
• Weighted residual factors for significantly intense reflections: 0.1474
• Weighted residual factors for all reflections included in the refinement: 0.1481
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No