Information card for entry 1504476

Structure parameters

• Formula: C22 H20 O S
• Calculated formula: C22 H20 O S
• SMILES: S(C(=C(\COC)c1ccccc1)\c1ccccc1)c1ccccc1
• Title of publication: Platinum-catalyzed regio- and stereoselective arylthiolation of internal alkynes.
• Authors of publication: Yamashita, Fumikazu; Kuniyasu, Hitoshi; Terao, Jun; Kambe, Nobuaki
• Journal of publication: Organic letters
• Year of publication: 2008
• Journal volume: 10
• Journal issue: 1
• Pages of publication: 101 - 104
• a: 17.072 ± 0.001 Å
• b: 5.6379 ± 0.0003 Å
• c: 18.96 ± 0.001 Å
• α: 90°
• β: 99.389 ± 0.002°
• γ: 90°
• Cell volume: 1800.46 ± 0.17 ų
• Cell temperature: 273.2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for significantly intense reflections: 0.0387
• Weighted residual factors for all reflections included in the refinement: 0.084
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No