Information card for entry 7010745

Structure parameters

• Common name: NacNacH
• Formula: C29 H42 N2
• Calculated formula: C29 H42 N2
• SMILES: N(=C(/C=C(\Nc1c(cccc1C(C)C)C(C)C)C)C)\c1c(cccc1C(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: 15.053 ± 0.005 Å
• b: 17.944 ± 0.006 Å
• c: 20.034 ± 0.005 Å
• α: 90°
• β: 97.4 ± 0.02°
• γ: 90°
• Cell volume: 5366 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0902
• Residual factor for significantly intense reflections: 0.0628
• Weighted residual factors for significantly intense reflections: 0.1489
• Weighted residual factors for all reflections included in the refinement: 0.1659
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No