Information card for entry 7116749

Structure parameters

• Formula: C21 H44 Li N5
• Calculated formula: C21 H44 Li N5
• SMILES: [Li]12(N3C=CC=CC3C(C)(C)C)[N](C)(C)CC[N]2(CC[N]1(C)C)CCN(C)C
• Title of publication: Facile synthesis of a genuinely alkane-soluble but isolable lithium hydride transfer reagent
• Authors of publication: Stuart D. Robertson; Alan R. Kennedy; John J. Liggat; Robert E. Mulvey
• Journal of publication: Chem.Commun.
• Year of publication: 2015
• Journal volume: 51
• Pages of publication: 5452
• a: 10.5102 ± 0.0003 Å
• b: 18.8729 ± 0.0006 Å
• c: 23.8796 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4736.7 ± 0.2 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0855
• Residual factor for significantly intense reflections: 0.0543
• Weighted residual factors for significantly intense reflections: 0.1035
• Weighted residual factors for all reflections included in the refinement: 0.1156
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No