Information card for entry 4064509

Structure parameters

• Formula: C59 H86 N2 O W
• Calculated formula: C59 H86 N2 O W
• Title of publication: Room Temperature Z-Selective Homocoupling of α Olefins by Tungsten Catalysts.
• Authors of publication: Marinescu, Smaranda C.; Schrock, Richard R.; Müller, Peter; Takase, Michael K.; Hoveyda, Amir H.
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 7
• Pages of publication: 1780 - 1782
• a: 13.0576 ± 0.0002 Å
• b: 12.8834 ± 0.0002 Å
• c: 33.4802 ± 0.0006 Å
• α: 90°
• β: 100.254 ± 0.001°
• γ: 90°
• Cell volume: 5542.29 ± 0.16 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0314
• Residual factor for significantly intense reflections: 0.0288
• Weighted residual factors for significantly intense reflections: 0.0704
• Weighted residual factors for all reflections included in the refinement: 0.0721
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No