Information card for entry 4087717

Structure parameters

• Formula: C20 H25 N O2 W
• Calculated formula: C20 H25 N O2 W
• Title of publication: Unsymmetrical Saturated Ketones Resulting from Activations of Hydrocarbon C(sp3)‒H and C(sp2)‒H Bonds Effected by Cp*W(NO)(H)(η3-allyl) Complexes
• Authors of publication: Baillie, Rhett A.; Lefèvre, Guillaume P.; Wakeham, Russell J.; Holmes, Aaron S.; Legzdins, Peter
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 16
• Pages of publication: 4085
• a: 15.1177 ± 0.0019 Å
• b: 7.8813 ± 0.0009 Å
• c: 15.4847 ± 0.0019 Å
• α: 90°
• β: 97.175 ± 0.007°
• γ: 90°
• Cell volume: 1830.5 ± 0.4 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0344
• Residual factor for significantly intense reflections: 0.0312
• Weighted residual factors for significantly intense reflections: 0.0629
• Weighted residual factors for all reflections included in the refinement: 0.0638
• Goodness-of-fit parameter for all reflections included in the refinement: 1.283
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No