Information card for entry 4107424

Structure parameters

• Chemical name: dimethyloxyethylene-lithium-cyclooctadiene-cyclopentadienyl-ferrate
• Formula: C17 H27 Fe Li O2
• Calculated formula: C17 H27 Fe Li O2
• SMILES: [cH]12[cH]3[cH]4[cH]5[cH]1[Fe]1234567[CH]2=[CH]1CC[CH]7=[CH]6CC2.[Li]1[O](C)CC[O]1C
• Title of publication: A Cheap Metal for a "Noble" Task: Preparative and Mechanistic Aspects of Cycloisomerization and Cycloaddition Reactions Catalyzed by Low-Valent Iron Complexes
• Authors of publication: Alois Fürstner; Keisuke Majima; Rubén Martín; Helga Krause; Egmont Kattnig; Richard Goddard; Christian W. Lehmann
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2008
• Journal volume: 130
• Pages of publication: 1992 - 2004
• a: 18.9769 ± 0.0003 Å
• b: 24.381 ± 0.0003 Å
• c: 15.8073 ± 0.0002 Å
• α: 90°
• β: 118.19°
• γ: 90°
• Cell volume: 6446.15 ± 0.15 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0545
• Residual factor for significantly intense reflections: 0.0431
• Weighted residual factors for significantly intense reflections: 0.1086
• Weighted residual factors for all reflections included in the refinement: 0.1158
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No