Information card for entry 4027850

Structure parameters

• Common name: Alkyidene Furan
• Chemical name: (Z)-N-(2-(5,5-diphenyldihydrofuran-3(2H)-ylidene)ethyl) -4-methylbenzenesulfonamide
• Formula: C25 H25 N O3 S
• Calculated formula: C25 H25 N O3 S
• SMILES: c1ccc(C2(CC(=C\CNS(=O)(=O)c3ccc(C)cc3)\CO2)c2ccccc2)cc1
• Title of publication: Electrophile-Induced C-C Bond Activation of Vinylcyclopropanes for the Synthesis of Z-Alkylidenetetrahydrofurans
• Authors of publication: Venkataraman Ganesh; Taraknath Kundu; Srinivasan Chandrasekaran
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2013
• Journal volume: 78
• Pages of publication: 380 - 399
• a: 12.3722 ± 0.0006 Å
• b: 8.8919 ± 0.0004 Å
• c: 20.1596 ± 0.001 Å
• α: 90°
• β: 92.913 ± 0.003°
• γ: 90°
• Cell volume: 2214.94 ± 0.18 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• 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: 0.1425
• Residual factor for significantly intense reflections: 0.0564
• Weighted residual factors for significantly intense reflections: 0.1335
• Weighted residual factors for all reflections included in the refinement: 0.1572
• Goodness-of-fit parameter for all reflections included in the refinement: 0.959
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No