Information card for entry 2019117

Structure parameters

• Chemical name: (3<i>S</i>,3a<i>S</i>,5<i>R</i>,6<i>R</i>,6a<i>S</i>)-5-[methoxy(methyl)amino]-3,6-bis[(triethylsilyl)oxy]-hexahydrofuro[3,2-<i>b</i>]furan-2-one
• Formula: C20 H41 N O6 Si2
• Calculated formula: C20 H41 N O6 Si2
• Title of publication: A fused [3.3.0]-neoglycoside lactone derived from glucuronic acid
• Authors of publication: Schombs, Matthew W.; Davis, Ryan A.; Fettinger, James C.; Gervay-Hague, Jacquelyn
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 9
• Pages of publication: 1062 - 1066
• a: 12.0523 ± 0.0008 Å
• b: 28.1562 ± 0.0019 Å
• c: 14.5558 ± 0.001 Å
• α: 90°
• β: 90.022 ± 0.003°
• γ: 90°
• Cell volume: 4939.5 ± 0.6 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.047
• Residual factor for significantly intense reflections: 0.0465
• Weighted residual factors for significantly intense reflections: 0.1158
• Weighted residual factors for all reflections included in the refinement: 0.1164
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes