Information card for entry 4025672

Structure parameters

• Formula: C52 H68 F2 Li2 O8
• Calculated formula: C52 H68 F2 Li2 O8
• Title of publication: Structure and Dynamics of α-Aryl Amide and Ketone Enolates: THF, PMDTA, TMTAN, HMPA, and Crypt-Solvated Lithium Enolates, and Comparison with Phosphazenium Analogues
• Authors of publication: Kristopher J. Kolonko; Ilia A. Guzei; Hans J. Reich
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2010
• Journal volume: 75
• Pages of publication: 6163 - 6172
• a: 10.0232 ± 0.0004 Å
• b: 13.2311 ± 0.0005 Å
• c: 19.1945 ± 0.0007 Å
• α: 93.541 ± 0.002°
• β: 103.269 ± 0.002°
• γ: 105.102 ± 0.002°
• Cell volume: 2371.91 ± 0.16 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0589
• Residual factor for significantly intense reflections: 0.0562
• Weighted residual factors for significantly intense reflections: 0.138
• Weighted residual factors for all reflections included in the refinement: 0.14
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No