Information card for entry 7154340

Structure parameters

• Chemical name: 5-(cyclohexylidenemethyl)-3,3-diphenyldihydrofuran-2(3H)-one
• Formula: C23 H24 O2
• Calculated formula: C23 H24 O2
• SMILES: O1C(=O)C(CC1C=C1CCCCC1)(c1ccccc1)c1ccccc1
• Title of publication: Ligand- and Brønsted acid/base-switchable reaction pathways in gold(i)-catalyzed cycloisomerizations of allenoic acids.
• Authors of publication: Handa, Sachin; Subramanium, Sri S.; Ruch, Aaron A.; Tanski, Joseph M.; Slaughter, LeGrande M
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2015
• Journal volume: 13
• Journal issue: 13
• Pages of publication: 3936 - 3949
• a: 10.2882 ± 0.0001 Å
• b: 10.0834 ± 0.0001 Å
• c: 17.6278 ± 0.0002 Å
• α: 90°
• β: 100.173 ± 0.0004°
• γ: 90°
• Cell volume: 1799.96 ± 0.03 ų
• Cell temperature: 125 ± 2 K
• Ambient diffraction temperature: 125 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0349
• Residual factor for significantly intense reflections: 0.0345
• Weighted residual factors for significantly intense reflections: 0.0841
• Weighted residual factors for all reflections included in the refinement: 0.0844
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No