Information card for entry 4113498

Structure parameters

• Formula: C50 H65 N O2 W
• Calculated formula: C50 H65 N O2 W
• SMILES: C1C(C[W]21(=Nc1c(cccc1C(C)C)C(C)C)Oc1c(cc(c(c1c1c(O2)c(cc(c1C)C)C(C)(C)C)C)C)C(C)(C)C)C(c1ccccc1)(C)C.CCCCC
• Title of publication: Alkylidene and Metalacyclic Complexes of Tungsten that Contain a Chiral Biphenoxide Ligand. Synthesis, Asymmetric Ring-Closing Metathesis, and Mechanistic Investigations
• Authors of publication: W. C. Peter Tsang; Kai C. Hultzsch; John B. Alexander; Peter J. Bonitatebus; Richard R. Schrock; Amir H. Hoveyda
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2003
• Journal volume: 125
• Pages of publication: 2652 - 2666
• a: 22.2675 ± 0.0015 Å
• b: 19.8014 ± 0.0014 Å
• c: 22.5546 ± 0.0015 Å
• α: 90°
• β: 113.569 ± 0.001°
• γ: 90°
• Cell volume: 9115.3 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.1026
• Residual factor for significantly intense reflections: 0.0887
• Weighted residual factors for significantly intense reflections: 0.1437
• Weighted residual factors for all reflections included in the refinement: 0.1478
• Goodness-of-fit parameter for all reflections included in the refinement: 1.397
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No