Information card for entry 4085410

Structure parameters

• Formula: C53 H60 O S2 W
• Calculated formula: C53 H60 O S2 W
• SMILES: [W](Sc1c(cccc1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)(Sc1c(c2c(cc(C)cc2C)C)cccc1c1c(C)cc(cc1C)C)(=CC(C)(C)C)=O
• Title of publication: Strongly σ Donating Thiophenoxide in Silica-Supported Tungsten Oxo Catalysts for Improved 1-Alkene Metathesis Efficiency
• Authors of publication: Mougel, Victor; Pucino, Margherita; Copéret, Christophe
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 3
• Pages of publication: 551
• a: 27.271 ± 0.004 Å
• b: 13.1156 ± 0.0003 Å
• c: 17.822 ± 0.002 Å
• α: 90°
• β: 134.22 ± 0.02°
• γ: 90°
• Cell volume: 4568.4 ± 1.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1133
• Residual factor for significantly intense reflections: 0.0714
• Weighted residual factors for significantly intense reflections: 0.1546
• Weighted residual factors for all reflections included in the refinement: 0.173
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No