Information card for entry 7154852

Structure parameters

• Chemical name: (3aRS,5aRS,9aRS,9bRS)-5a-methyl-3,9-dimethylenedecahydronaphtho[1,2-b]furan-2(9bH)-one
• Formula: C15 H20 O2
• Calculated formula: C15 H20 O2
• SMILES: C1(=O)C(=C)[C@@H]2[C@H]([C@@H]3C(=C)CCC[C@@]3(CC2)C)O1.C1(=O)C(=C)[C@H]2[C@@H]([C@H]3C(=C)CCC[C@]3(CC2)C)O1
• 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: 6.95182 ± 0.00016 Å
• b: 12.228 ± 0.0003 Å
• c: 30.5046 ± 0.0006 Å
• α: 90°
• β: 95.654 ± 0.002°
• γ: 90°
• Cell volume: 2580.48 ± 0.1 ų
• Cell temperature: 110.05 ± 0.1 K
• Ambient diffraction temperature: 110.05 ± 0.1 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0633
• Residual factor for significantly intense reflections: 0.0487
• Weighted residual factors for significantly intense reflections: 0.1285
• Weighted residual factors for all reflections included in the refinement: 0.1362
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No