Information card for entry 7242329

Structure parameters

• Formula: C17 H18 O3 S
• Calculated formula: C17 H18 O3 S
• SMILES: S(=O)(=O)(c1ccc(cc1)C)C(=C(OC)\c1ccccc1)/C
• Title of publication: Regio- and stereoselective electrochemical synthesis of sulfonylated enethers from alkynes and sulfonyl hydrazides
• Authors of publication: Du, Wu-Bo; Wang, Ning-Ning; Pan, Chao; Ni, Shao-Fei; Wen, Li-Rong; Li, Ming; Zhang, Lin-Bao
• Journal of publication: Green Chemistry
• Year of publication: 2021
• Journal volume: 23
• Journal issue: 6
• Pages of publication: 2420 - 2426
• a: 15.40316 ± 0.00012 Å
• b: 7.20606 ± 0.00003 Å
• c: 15.43887 ± 0.00009 Å
• α: 90°
• β: 116.871 ± 0.0009°
• γ: 90°
• Cell volume: 1528.62 ± 0.02 ų
• Cell temperature: 170 ± 0.15 K
• Ambient diffraction temperature: 170 ± 0.15 K
• Number of distinct elements: 4
• 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: 0.0328
• Residual factor for significantly intense reflections: 0.0326
• Weighted residual factors for significantly intense reflections: 0.0873
• Weighted residual factors for all reflections included in the refinement: 0.0874
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No