Information card for entry 7114027

Structure parameters

• Common name: (1S,5S,8R)-3-1-ethyl-5-(tert-butyldimethylsiloxy)methyl-8-hydroxy-2,6-dioxabicyclo[3.3.0]octane
• Chemical name: (1S,5S,8R)-3-1-ethyl-5-(tert-butyldimethylsiloxy)methyl-8-hydroxy-2,6-dioxabicyclo[3.3.0]octane
• Formula: C15 H28 O5 Si
• Calculated formula: C15 H18.5 O5 Si
• Title of publication: An enantioselective synthetic pathway towards plakortones
• Authors of publication: Lee, Hing Ken; Wong, Henry N. C.
• Journal of publication: Chemical Communications
• Year of publication: 2002
• Journal issue: 18
• Pages of publication: 2114 - 2115
• a: 10.179 ± 0.002 Å
• b: 7.4299 ± 0.0015 Å
• c: 13.032 ± 0.003 Å
• α: 90°
• β: 105.87 ± 0.03°
• γ: 90°
• Cell volume: 948 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1221
• Residual factor for significantly intense reflections: 0.1172
• Weighted residual factors for significantly intense reflections: 0.3036
• Weighted residual factors for all reflections included in the refinement: 0.3126
• Goodness-of-fit parameter for all reflections included in the refinement: 1.33
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No