Information card for entry 7011138

Structure parameters

• Formula: C128 H140 Li20 N10 O7
• Calculated formula: C128 H130 Li20 N10 O7
• Title of publication: A solid state and theoretical study of the solvent effects controlling the mono- and di-lithiation of aromatic primary amines
• Authors of publication: Armstrong, David R.; Ball, Sarah C.; Barr, Donald; Clegg, William; Linton, David J.; Kerr, Lesley C.; Moncrieff, David; Raithby, Paul R.; Singer, Robert J.; Snaith, Ronald; Stalke, Dietmar; Wheatley, Andrew E. H.; Wright, Dominic S.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2002
• Journal issue: 12
• Pages of publication: 2505
• a: 14.111 ± 0.002 Å
• b: 14.27 ± 0.003 Å
• c: 28.866 ± 0.005 Å
• α: 90°
• β: 93.84 ± 0.02°
• γ: 90°
• Cell volume: 5799.5 ± 1.8 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• 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: 0.1965
• Residual factor for significantly intense reflections: 0.1372
• Weighted residual factors for significantly intense reflections: 0.4305
• Weighted residual factors for all reflections included in the refinement: 0.497
• Goodness-of-fit parameter for all reflections included in the refinement: 1.422
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No