Information card for entry 4120846

Structure parameters

• Common name: ccs19feb`13
• Formula: C42 H90 Li4 N2 O2 Si2
• Calculated formula: C42 H90 Li4 N2 O2 Si2
• SMILES: C1[C@H](C(C)C)N2(CC)([Li]3[N]4([C@H](C[O]([Li]4[CH]43CCCC4)[Si](C(C)C)(C(C)C)C(C)C)C(C)C)(CC)[Li]23)[Li]([CH]23CCCC2)[O]1[Si](C(C)C)(C(C)C)C(C)C
• Title of publication: Mixed Aggregates of an Alkyl Lithium Reagent and a Chiral Lithium Amide Derived from N-Ethyl-O-triisopropylsilyl Valinol
• Authors of publication: Chicheung Su; Russell Hopson; Paul G. Williard
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2013
• Journal volume: 135
• Pages of publication: 14367 - 14379
• a: 8.8685 ± 0.0015 Å
• b: 11.5116 ± 0.0018 Å
• c: 12.3562 ± 0.0017 Å
• α: 84.247 ± 0.005°
• β: 82.647 ± 0.005°
• γ: 80.286 ± 0.005°
• Cell volume: 1229.1 ± 0.3 ų
• Cell temperature: 198 ± 2 K
• Ambient diffraction temperature: 198 ± 2 K
• Number of distinct elements: 6
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.08
• Residual factor for significantly intense reflections: 0.0753
• Weighted residual factors for significantly intense reflections: 0.2239
• Weighted residual factors for all reflections included in the refinement: 0.2268
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 0.71073 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No