Information card for entry 2227169

Structure parameters

• Chemical name: Pentafluorophenyl (3<i>R</i>,4<i>R</i>,5<i>S</i>)-5-{[(3<i>R</i>,4<i>R</i>,5<i>S</i>)-5- azidomethyl-3,4-dimethoxy-2,3,4,5-tetrahydrofuran-3-carboxamido]methyl}-3,4- dimethoxy-2,3,4,5-tetrahydrofuran-3-carboxylate
• Formula: C22 H25 F5 N4 O9
• Calculated formula: C22 H25 F5 N4 O9
• Title of publication: Pentafluorophenyl (3<i>R</i>,4<i>R</i>,5<i>S</i>)-5-{[(3<i>R</i>,4<i>R</i>,5<i>S</i>)-5-azidomethyl-3,4-dimethoxy-2,3,4,5-tetrahydrofuran-3-carboxamido]methyl}-3,4-dimethoxy-2,3,4,5-tetrahydrofuran-3-carboxylate
• Authors of publication: Simone, Michela I.; Edwards, Alison A.; Parker, Samuel G.; Tranter, George E.; Fleet, George W. J.; Watkin, David J.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 11
• Pages of publication: o2699 - o2700
• a: 26.8973 ± 0.0004 Å
• b: 7.907 ± 0.0001 Å
• c: 24.7763 ± 0.0005 Å
• α: 90°
• β: 102.444 ± 0.0006°
• γ: 90°
• Cell volume: 5145.56 ± 0.14 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.064
• Residual factor for significantly intense reflections: 0.0565
• Weighted residual factors for all reflections: 0.1592
• Weighted residual factors for significantly intense reflections: 0.1534
• Weighted residual factors for all reflections included in the refinement: 0.1592
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9857
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes