Information card for entry 4122413

Structure parameters

• Common name: ccs23feb13
• Formula: C42 H92 Li4 N4 O6
• Calculated formula: C42 H92 Li4 N4 O6
• SMILES: C1[C@H](C)[N]2(C(C)C)[Li]34[N]([C@H](C[O]4CCCCC[O]4C[C@H](C)[N]5(C(C)C)[Li]64[N]([C@H](C[O]6CCCCC[O]13)C)(C(C)C)[Li]5[O](CC)CC)C)(C(C)C)[Li]2[O](CC)CC
• Title of publication: Chiral lithium diamides derived from linked N-isopropyl valinol or alaninol.
• Authors of publication: Su, Chicheung; Guang, Jie; Li, Weibin; Wu, Kuiwang; Hopson, Russell; Williard, Paul G.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2014
• Journal volume: 136
• Journal issue: 33
• Pages of publication: 11735 - 11747
• a: 10.8399 ± 0.0009 Å
• b: 12.751 ± 0.001 Å
• c: 36.398 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5030.9 ± 0.7 ų
• Cell temperature: 198 ± 2 K
• Ambient diffraction temperature: 198 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0787
• Residual factor for significantly intense reflections: 0.072
• Weighted residual factors for significantly intense reflections: 0.1966
• Weighted residual factors for all reflections included in the refinement: 0.2028
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No