Information card for entry 4071906

Structure parameters

• Formula: C34 H30 O4 S2
• Calculated formula: C34 H30 O4 S2
• SMILES: S(c1ccccc1)C(=C(\C(=O)OCC)C(/C(=O)OCC)=C(Sc1ccccc1)/c1ccccc1)\c1ccccc1
• Title of publication: Insertion of Alkynes into an ArS−Pt Bond: Regio- and Stereoselective Thermal Reactions, Facilitation by “o-Halogen Effect” and Photoirradiation, Different Alkyne Preferences Depending on the Ancillary Ligand, and Application to a Catalytic Reaction
• Authors of publication: Kuniyasu, Hitoshi; Takekawa, Kazunobu; Yamashita, Fumikazu; Miyafuji, Kiyoshi; Asano, Shigehito; Takai, Yasutomo; Ohtaka, Atsushi; Tanaka, Aoi; Sugoh, Kunihiko; Kurosawa, Hideo; Kambe, Nobuaki
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 18
• Pages of publication: 4788
• a: 8.1156 ± 0.0004 Å
• b: 16.984 ± 0.001 Å
• c: 11.5882 ± 0.0006 Å
• α: 90°
• β: 111.984 ± 0.002°
• γ: 90°
• Cell volume: 1481.12 ± 0.14 ų
• Cell temperature: 277.2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for significantly intense reflections: 0.0472
• Weighted residual factors for all reflections included in the refinement: 0.1167
• Goodness-of-fit parameter for all reflections included in the refinement: 1.432
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No