Information card for entry 1546008

Structure parameters

• Formula: C45 H50 S2
• Calculated formula: C45 H50 S2
• Title of publication: Rh-Catalyzed Dehydrogenative Cyclization Leading to Benzosilolothiophene Derivatives via Si–H/C–H Bond Cleavage
• Authors of publication: Mitsudo, Koichi; Tanaka, Seiichi; Isobuchi, Ryota; Inada, Tomohiro; Mandai, Hiroki; Korenaga, Toshinobu; Wakamiya, Atsushi; Murata, Yasujiro; Suga, Seiji
• Journal of publication: Organic Letters
• Year of publication: 2017
• a: 20.986 ± 0.004 Å
• b: 22.422 ± 0.004 Å
• c: 7.9388 ± 0.0015 Å
• α: 90°
• β: 103.263 ± 0.003°
• γ: 90°
• Cell volume: 3635.9 ± 1.2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0545
• Residual factor for significantly intense reflections: 0.0408
• Weighted residual factors for significantly intense reflections: 0.0977
• Weighted residual factors for all reflections included in the refinement: 0.1052
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No