Information card for entry 1504477

Structure parameters

• Formula: C27 H22 O S
• Calculated formula: C27 H22 O S
• SMILES: S(C(=C(\COc1ccccc1)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: 40.402 ± 0.001 Å
• b: 5.9938 ± 0.0002 Å
• c: 18.1842 ± 0.0006 Å
• α: 90°
• β: 111.421 ± 0.0009°
• γ: 90°
• Cell volume: 4099.3 ± 0.2 ų
• Cell temperature: 273.2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for significantly intense reflections: 0.0342
• Weighted residual factors for all reflections included in the refinement: 0.0755
• Goodness-of-fit parameter for all reflections included in the refinement: 0.899
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No