Information card for entry 4104780

Structure parameters

• Formula: C46 H50 Mo N2 O
• Calculated formula: C46 H50 Mo N2 O
• SMILES: [Mo](=Nc1c(cccc1C(C)C)C(C)C)(n1c(ccc1C)C)(=CC(C)(C)c1ccccc1)Oc1c(cccc1c1ccccc1)c1ccccc1
• Title of publication: Endo-Selective Enyne Ring-Closing Metathesis Promoted by Stereogenic-at-Mo Monoalkoxide and Monoaryloxide Complexes. Efficient Synthesis of Cyclic Dienes Not Accessible through Reactions with Ru Carbenes
• Authors of publication: Yeon-Ju Lee; Richard R. Schrock; Amir H. Hoveyda
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Pages of publication: 10652 - 10661
• a: 43.321 ± 0.007 Å
• b: 12.988 ± 0.002 Å
• c: 14.383 ± 0.002 Å
• α: 90°
• β: 106.856 ± 0.002°
• γ: 90°
• Cell volume: 7745 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.048
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for significantly intense reflections: 0.0796
• Weighted residual factors for all reflections included in the refinement: 0.0842
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No