Information card for entry 4064507

Structure parameters

• Formula: C58 H84 N2 O W
• Calculated formula: C58 H84 N2 O W
• SMILES: [W]1(Oc2c(cccc2c2c(cc(cc2C(C)C)C(C)C)C(C)C)c2c(cc(cc2C(C)C)C(C)C)C(C)C)(=Nc2cc(cc(c2)C)C)(n2cccc2)CCC1.CCCCCCC
• 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: 9.0469 ± 0.0002 Å
• b: 13.1911 ± 0.0003 Å
• c: 23.8059 ± 0.0005 Å
• α: 82.7973 ± 0.0012°
• β: 86.6985 ± 0.0013°
• γ: 70.7499 ± 0.0013°
• Cell volume: 2660.55 ± 0.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0207
• Residual factor for significantly intense reflections: 0.0204
• Weighted residual factors for significantly intense reflections: 0.0508
• Weighted residual factors for all reflections included in the refinement: 0.0509
• Goodness-of-fit parameter for all reflections included in the refinement: 1.12
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No