Information card for entry 4104866

Structure parameters

• Formula: C38 H42 F4 Li2 O4
• Calculated formula: C38 H42 F4 Li2 O4
• Title of publication: Solution Structures of Lithium Enolates of Cyclopentanone, Cyclohexanone, Acetophenones, and Benzyl Ketones. Triple Ions and Higher Lithiate Complexes
• Authors of publication: Kristopher J. Kolonko; Margaret M. Biddle; Ilia A. Guzei; Hans J. Reich
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Pages of publication: 11525 - 11534
• a: 9.6071 ± 0.0011 Å
• b: 9.8809 ± 0.0012 Å
• c: 10.5968 ± 0.0013 Å
• α: 113.932 ± 0.002°
• β: 96.489 ± 0.002°
• γ: 98.884 ± 0.002°
• Cell volume: 891.06 ± 0.19 ų
• Cell temperature: 105 ± 2 K
• Ambient diffraction temperature: 105 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0669
• Residual factor for significantly intense reflections: 0.0575
• Weighted residual factors for significantly intense reflections: 0.1545
• Weighted residual factors for all reflections included in the refinement: 0.1606
• Goodness-of-fit parameter for all reflections included in the refinement: 0.988
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo-Kα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No