Information card for entry 1505258

Structure parameters

• Formula: C23 H20 S
• Calculated formula: C23 H20 S
• SMILES: S(C(=C(CC=C)\c1ccccc1)\c1ccccc1)c1ccccc1
• Title of publication: Nickel-catalyzed thioallylation of alkynes with allyl phenyl sulfides.
• Authors of publication: Hua, Ruimao; Takeda, Hideaki; Onozawa, Shun-ya; Abe, Yoshimoto; Tanaka, Masato
• Journal of publication: Organic letters
• Year of publication: 2007
• Journal volume: 9
• Journal issue: 2
• Pages of publication: 263 - 266
• a: 16.382 ± 0.002 Å
• b: 17.248 ± 0.002 Å
• c: 6.272 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1772.2 ± 0.9 ų
• Cell temperature: 203.2 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for significantly intense reflections: 0.0412
• Weighted residual factors for all reflections included in the refinement: 0.1035
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No