Information card for entry 4029026

Structure parameters

• Common name: ccs09jul12
• Formula: C13 H20 Li N O
• Calculated formula: C13 H20 Li N O
• 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: 9.3268 ± 0.0014 Å
• b: 9.5932 ± 0.0016 Å
• c: 14.897 ± 0.002 Å
• α: 90°
• β: 97.819 ± 0.005°
• γ: 90°
• Cell volume: 1320.5 ± 0.3 ų
• Cell temperature: 198 ± 2 K
• Ambient diffraction temperature: 198 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1501
• Residual factor for significantly intense reflections: 0.1051
• Weighted residual factors for significantly intense reflections: 0.2539
• Weighted residual factors for all reflections included in the refinement: 0.2883
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No