Information card for entry 4113503

Structure parameters

• Formula: C44 H59 Mo N O2
• Calculated formula: C44 H59 Mo N O2
• SMILES: [Mo]1(=NC23CC4CC(CC(C2)C4)C3)(Oc2c(cc(c(c2c2c(O1)c(cc(c2C)C)C(C)(C)C)C)C)C(C)(C)C)=CC(C)(C)c1ccccc1
• Title of publication: An Enantiomerically Pure Adamantylimido Molybdenum Alkylidene Complex. An Effective New Catalyst for Enantioselective Olefin Metathesis
• Authors of publication: W. C. Peter Tsang; Jesper A. Jernelius; G. A. Cortez; Gabriel S. Weatherhead; 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: 2591 - 2596
• a: 10.9897 ± 0.0008 Å
• b: 16.5354 ± 0.0013 Å
• c: 21.4911 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3905.3 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0289
• Residual factor for significantly intense reflections: 0.0268
• Weighted residual factors for significantly intense reflections: 0.0626
• Weighted residual factors for all reflections included in the refinement: 0.0633
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No