Information card for entry 1554873

Structure parameters

• Formula: C20 H16 O2
• Calculated formula: C20 H16 O2
• SMILES: O1C(=O)[C@H]([C@@H](C1)c1ccccc1)c1cc2ccccc2cc1
• Title of publication: Diastereoselective synthesis of γ-lactones through reaction of enediolates with α,β-unsaturated sulfoxonium salts.
• Authors of publication: Peraino, Nicholas J.; Wheeler, Kraig A.; Kerrigan, Nessan J.
• Journal of publication: Organic letters
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 7
• Pages of publication: 1735 - 1737
• a: 5.9724 ± 0.0004 Å
• b: 14.8969 ± 0.001 Å
• c: 16.4863 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1466.79 ± 0.17 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0441
• Residual factor for significantly intense reflections: 0.0392
• Weighted residual factors for significantly intense reflections: 0.0962
• Weighted residual factors for all reflections included in the refinement: 0.1003
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No