Information card for entry 7154853

Structure parameters

• Chemical name: (3aRS,5aRS,9aSR,9bRS)-5a,9-dimethyl-3-methylene-3a,4,5,5a,6,7,9a,9b-octahydronaphtho[1,2-b]furan-2(3H)-one
• Formula: C15 H20 O2
• Calculated formula: C15 H20 O2
• 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: 7.4631 ± 0.0004 Å
• b: 8.1068 ± 0.0004 Å
• c: 10.7071 ± 0.0005 Å
• α: 89.047 ± 0.004°
• β: 89.71 ± 0.004°
• γ: 89.044 ± 0.004°
• Cell volume: 647.61 ± 0.06 ų
• Cell temperature: 132 ± 30 K
• Ambient diffraction temperature: 132 ± 30 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0439
• Residual factor for significantly intense reflections: 0.0395
• Weighted residual factors for significantly intense reflections: 0.108
• Weighted residual factors for all reflections included in the refinement: 0.1119
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54181 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No