Information card for entry 7010743

Structure parameters

• Common name: NacNacLi.THF
• Formula: C33 H49 Li N2 O
• Calculated formula: C33 H49 Li N2 O
• SMILES: c1(c(cccc1C(C)C)C(C)C)[N]([Li]1[O]2CCCC2)=C(C=C(N1c1c(cccc1C(C)C)C(C)C)C)C
• Title of publication: The synthesis and structure of lithium derivatives of the sterically encumbered β-diketiminate ligand [{(2,6-Pri2H3C6)N(CH3)C}2CH]–, and a modified synthesis of the aminoimine precursor
• Authors of publication: Stender, Matthias; Wright, Robert J.; Eichler, Barrett E.; Prust, Jörg; Olmstead, Marilyn M.; Roesky, Herbert W.; Power, Philip P.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2001
• Journal issue: 23
• Pages of publication: 3465
• a: 13.936 ± 0.005 Å
• b: 14.757 ± 0.005 Å
• c: 15.72 ± 0.005 Å
• α: 90°
• β: 106.499 ± 0.006°
• γ: 90°
• Cell volume: 3099.8 ± 1.8 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 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: 0.1356
• Residual factor for significantly intense reflections: 0.075
• Weighted residual factors for significantly intense reflections: 0.1772
• Weighted residual factors for all reflections included in the refinement: 0.2159
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No