Information card for entry 7154854

Structure parameters

• Chemical name: (4aSR,8SR,8aSR)-8-((tert-butyldimethylsilyl)oxy)-4a-methyloctahydronaphthalen-1(2H)-one
• Formula: C17 H32 O2 Si
• Calculated formula: C17 H32 O2 Si
• SMILES: [C@@H]1(CCC[C@]2(C)[C@@H]1C(=O)CCC2)O[Si](C)(C)C(C)(C)C.[C@H]1(CCC[C@@]2(C)[C@H]1C(=O)CCC2)O[Si](C)(C)C(C)(C)C
• Title of publication: A selective C-H insertion/olefination protocol for the synthesis of α-methylene-γ-butyrolactone natural products.
• Authors of publication: Lloyd, Matthew G.; D'Acunto, Mariantonietta; Taylor, Richard J. K.; Unsworth, William P.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2016
• Journal volume: 14
• Journal issue: 5
• Pages of publication: 1641 - 1645
• a: 23.0721 ± 0.001 Å
• b: 6.5804 ± 0.0002 Å
• c: 26.2324 ± 0.0011 Å
• α: 90°
• β: 117.509 ± 0.005°
• γ: 90°
• Cell volume: 3532.4 ± 0.3 ų
• Cell temperature: 110.05 ± 0.1 K
• Ambient diffraction temperature: 110.05 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0386
• Residual factor for significantly intense reflections: 0.0349
• Weighted residual factors for significantly intense reflections: 0.0925
• Weighted residual factors for all reflections included in the refinement: 0.0961
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No