Information card for entry 1506542

Structure parameters

• Formula: C20 H26 O3 S
• Calculated formula: C20 H26 O3 S
• SMILES: S1(=O)(=O)/C(=C(\C(=C/CO)\C)C(C)(C)C)C=C(C1c1ccccc1)C
• Title of publication: 2-Alkylidenesulfol-3-enes by (regio- and) stereoselective cheletropic addition of SO2 to (di)vinylallenes.
• Authors of publication: Souto, José A; López, Carlos Silva; Faza, Olalla Nieto; Alvarez, Rosana; de Lera, Angel R.
• Journal of publication: Organic letters
• Year of publication: 2005
• Journal volume: 7
• Journal issue: 8
• Pages of publication: 1565 - 1568
• a: 9.079 ± 0.002 Å
• b: 10.386 ± 0.003 Å
• c: 11.448 ± 0.003 Å
• α: 64.851 ± 0.005°
• β: 77.443 ± 0.005°
• γ: 72.753 ± 0.005°
• Cell volume: 928 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.114
• Residual factor for significantly intense reflections: 0.0772
• Weighted residual factors for significantly intense reflections: 0.246
• Weighted residual factors for all reflections included in the refinement: 0.2612
• Goodness-of-fit parameter for all reflections included in the refinement: 1.104
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No