Information card for entry 4122409

Structure parameters

• Common name: ccs11dec12
• Formula: C54 H116 Li4 N4 O6
• Calculated formula: C54 H116 Li4 N4 O6
• SMILES: C1[C@@H](C(C)C)[N]2(C(C)C)[Li]34[N]([C@@H](C[O]4CCCCCCC[O]4C[C@@H](C(C)C)[N]5(C(C)C)[Li]64[N]([C@@H](C[O]6CCCCCCC[O]13)C(C)C)(C(C)C)[Li]5[O](CC)CC)C(C)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: 8.9565 ± 0.0018 Å
• b: 10.492 ± 0.002 Å
• c: 18.558 ± 0.005 Å
• α: 89.85 ± 0.04°
• β: 82.26 ± 0.04°
• γ: 65.3 ± 0.03°
• Cell volume: 1567.1 ± 0.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.1767
• Residual factor for significantly intense reflections: 0.0992
• Weighted residual factors for significantly intense reflections: 0.1818
• Weighted residual factors for all reflections included in the refinement: 0.2054
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No