Information card for entry 4126690

Structure parameters

• Formula: C47 H58 Mo N2 O
• Calculated formula: C47 H58 Mo N2 O
• SMILES: [Mo](=CC=C(C)C)(=Nc1c(cccc1C(C)C)C(C)C)(n1c(ccc1C)C)Oc1c(cccc1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C
• Title of publication: Correction to “Z-Selective Metathesis Homocoupling of 1,3-Dienes by Molybdenum and Tungsten Monoaryloxide Pyrrolide (MAP) Complexes”
• Authors of publication: Townsend, Erik M.; Schrock, Richard R.; Hoveyda, Amir H.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• a: 10.7915 ± 0.0009 Å
• b: 18.6255 ± 0.0015 Å
• c: 20.4579 ± 0.0016 Å
• α: 90°
• β: 90.824 ± 0.001°
• γ: 90°
• Cell volume: 4111.6 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0372
• Residual factor for significantly intense reflections: 0.0291
• Weighted residual factors for significantly intense reflections: 0.0697
• Weighted residual factors for all reflections included in the refinement: 0.0749
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No