Information card for entry 4514299

Structure parameters

• Formula: C18 H18 O2 S2
• Calculated formula: C18 H18 O2 S2
• Title of publication: Alternative Routes to Tricyclic Cyclohexenes with Trinuclear Palladium Complexes
• Authors of publication: Lanzi, Matteo; Cañeque, Tatiana; Marchiò, Luciano; Maggi, Raimondo; Bigi, Franca; Malacria, Max; Maestri, Giovanni
• Journal of publication: ACS Catalysis
• Year of publication: 2017
• Journal volume: 8
• Journal issue: 1
• Pages of publication: 144
• a: 18.468 ± 0.003 Å
• b: 5.7696 ± 0.0008 Å
• c: 29.486 ± 0.004 Å
• α: 90°
• β: 91.375 ± 0.002°
• γ: 90°
• Cell volume: 3140.9 ± 0.8 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 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 all reflections: 0.0491
• Residual factor for significantly intense reflections: 0.0374
• Weighted residual factors for significantly intense reflections: 0.0903
• Weighted residual factors for all reflections included in the refinement: 0.0999
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No