Information card for entry 1504595

Structure parameters

• Chemical name: (Sp,Ss)*-4-ethylsulfinyl-[2.2]-paracyclophane
• Formula: C18 H20 O S
• Calculated formula: C18 H20 O S
• SMILES: S(c1cc2ccc1CCc1ccc(cc1)CC2)(=O)CC
• Title of publication: An efficient and straightforward access to sulfur substituted [2.2]paracyclophanes: application to stereoselective sulfenate salt alkylation.
• Authors of publication: Lohier, Jean-François; Foucoin, Florian; Jaffrès, Paul-Alain; Garcia, José I; Sopková-de Oliveira Santos, Jana; Perrio, Stéphane; Metzner, Patrick
• Journal of publication: Organic letters
• Year of publication: 2008
• Journal volume: 10
• Journal issue: 6
• Pages of publication: 1271 - 1274
• a: 15.5982 ± 0.0005 Å
• b: 8.7362 ± 0.0003 Å
• c: 11.1429 ± 0.0004 Å
• α: 90°
• β: 91.457 ± 0.002°
• γ: 90°
• Cell volume: 1517.94 ± 0.09 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• 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: 0.116
• Residual factor for significantly intense reflections: 0.0478
• Weighted residual factors for significantly intense reflections: 0.1242
• Weighted residual factors for all reflections included in the refinement: 0.161
• Goodness-of-fit parameter for all reflections included in the refinement: 0.991
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No