Information card for entry 4129677

Structure parameters

• Formula: C46 H64 Li2 N6 O4
• Calculated formula: C46 H64 Li2 N6 O4
• SMILES: [Li]12([O](C(=C[N]1=C(c1ccccc1)c1ccccc1)OCC)[Li]1([O]2C(=C[N]1=C(c1ccccc1)c1ccccc1)OCC)[N](CCN(C)C)(C)C)[N](CCN(C)C)(C)C
• 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: 9.034 ± 0.0004 Å
• b: 11.0213 ± 0.0006 Å
• c: 11.9901 ± 0.0007 Å
• α: 106.481 ± 0.002°
• β: 91.063 ± 0.002°
• γ: 101.589 ± 0.002°
• Cell volume: 1117.79 ± 0.1 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0522
• Residual factor for significantly intense reflections: 0.0401
• Weighted residual factors for significantly intense reflections: 0.1036
• Weighted residual factors for all reflections included in the refinement: 0.1112
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No