Information card for entry 4029029

Structure parameters

• Formula: C32 H52 Li2 N2 O3
• Calculated formula: C32 H52 Li2 N2 O3
• SMILES: c1(ccccc1)[N]1(CC(C)C)[Li]([N](c2ccccc2)(CC(C)C)[Li]1([O]1CCCC1)[O]1CCCC1)[O]1CCCC1
• Title of publication: Structures of Lithium N-Monosubstituted Anilides: Trisolvated Monomer to Tetrasolvated Dimer.
• Authors of publication: Su, Chicheung; Guang, Jie; Williard, Paul G.
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2014
• Journal volume: 79
• Journal issue: 3
• Pages of publication: 1032
• a: 12.898 ± 0.004 Å
• b: 14.874 ± 0.006 Å
• c: 17.747 ± 0.005 Å
• α: 90°
• β: 103.175 ± 0.012°
• γ: 90°
• Cell volume: 3315.1 ± 1.9 ų
• Cell temperature: 198 ± 2 K
• Ambient diffraction temperature: 198 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1037
• Residual factor for significantly intense reflections: 0.083
• Weighted residual factors for significantly intense reflections: 0.2067
• Weighted residual factors for all reflections included in the refinement: 0.2254
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No