Information card for entry 4126670

Structure parameters

• Chemical name: (3R,4aR,5R,6R)-3-((R)-but-3-en-2-yl)-6-((tert-butyldimethylsilyl)oxy)- 3-hydroxy-4a,5-dimethyl-4,4a,5,6,7,8-hexahydronaphthalen-2(3H)-one
• Formula: C22 H38 O3 Si
• Calculated formula: C22 H38 O3 Si
• Title of publication: Total Synthesis of the Sesquiterpenoid Periconianone A Based on a Postulated Biogenesis.
• Authors of publication: Liffert, Raphael; Linden, Anthony; Gademann, Karl
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• a: 25.2644 ± 0.0006 Å
• b: 7.33538 ± 0.00018 Å
• c: 12.3638 ± 0.0003 Å
• α: 90°
• β: 94.354 ± 0.002°
• γ: 90°
• Cell volume: 2284.7 ± 0.1 ų
• Cell temperature: 160 ± 2 K
• Ambient diffraction temperature: 160 ± 2 K
• Number of distinct elements: 4
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0475
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.1191
• Weighted residual factors for all reflections included in the refinement: 0.1229
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No