Information card for entry 4129680

Structure parameters

• Formula: C68 H64 Li4 N4 O8
• Calculated formula: C68 H64 Li4 N4 O8
• SMILES: [Li]123[O]45[Li]67[O]1(=C(C(=N2=C(c1ccccc1)c1ccccc1)C)OC)[Li]12[O]6([Li]5(N(=C(c5ccccc5)c5ccccc5)=C(C=4OC)C)[O]31=C(C(=N2=C(c1ccccc1)c1ccccc1)C)OC)=C(C(=N7=C(c1ccccc1)c1ccccc1)C)OC
• Title of publication: Solid-State and Solution Structures of Glycinimine-Derived Lithium Enolates.
• Authors of publication: Jin, Kyoung Joo; Collum, David B.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2015
• Journal volume: 137
• Journal issue: 45
• Pages of publication: 14446 - 14455
• a: 24.9263 ± 0.0016 Å
• b: 12.4099 ± 0.0007 Å
• c: 22.988 ± 0.0014 Å
• α: 90°
• β: 95.483 ± 0.003°
• γ: 90°
• Cell volume: 7078.4 ± 0.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0725
• Residual factor for significantly intense reflections: 0.0475
• Weighted residual factors for significantly intense reflections: 0.1293
• Weighted residual factors for all reflections included in the refinement: 0.1404
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No