Information card for entry 4029023

Structure parameters

• Common name: ccs06sept12
• Formula: C21 H38 Li N3 O2
• Calculated formula: C21 H38 Li N3 O2
• 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: 10.9483 ± 0.0011 Å
• b: 16.07 ± 0.0014 Å
• c: 13.5591 ± 0.0012 Å
• α: 90°
• β: 108.446 ± 0.003°
• γ: 90°
• Cell volume: 2263 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1015
• Residual factor for significantly intense reflections: 0.0927
• Weighted residual factors for significantly intense reflections: 0.2349
• Weighted residual factors for all reflections included in the refinement: 0.2462
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No