Information card for entry 4104781

Structure parameters

• Formula: C58 H57.96 Br0.04 Mo N2 O
• Calculated formula: C58 H57.962 Br0.038 Mo N2 O
• 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: 12.414 ± 0.003 Å
• b: 27.088 ± 0.006 Å
• c: 13.856 ± 0.004 Å
• α: 90°
• β: 103.893 ± 0.004°
• γ: 90°
• Cell volume: 4523 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.1359
• Residual factor for significantly intense reflections: 0.0735
• Weighted residual factors for significantly intense reflections: 0.1238
• Weighted residual factors for all reflections included in the refinement: 0.1454
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No