Information card for entry 4113499

Structure parameters

• Formula: C45 H63 N O3 W
• Calculated formula: C45 H63 N O3 W
• SMILES: [W]123(Oc4c(c(c(cc4C(C)(C)C)C)C)c4c(O1)c(C(C)(C)C)cc(c4C)C)([O]1C(C(=CC1)C)C(C2)(C3)C)=Nc1c(C(C)C)cccc1C(C)C
• 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: 10.188 ± 0.0016 Å
• b: 10.8869 ± 0.0017 Å
• c: 21.512 ± 0.003 Å
• α: 75.914 ± 0.003°
• β: 80.904 ± 0.002°
• γ: 65.334 ± 0.002°
• Cell volume: 2098.8 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0292
• Residual factor for significantly intense reflections: 0.0281
• Weighted residual factors for significantly intense reflections: 0.0701
• Weighted residual factors for all reflections included in the refinement: 0.0708
• Goodness-of-fit parameter for all reflections included in the refinement: 1.118
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No