Information card for entry 7011139

Structure parameters

• Formula: C112 H154 Li20 N10 O10.5
• Calculated formula: C112 H70 Li20 N10 O10.5
• 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: 14.854 ± 0.009 Å
• b: 17.152 ± 0.009 Å
• c: 14.186 ± 0.009 Å
• α: 111.47 ± 0.05°
• β: 105.16 ± 0.05°
• γ: 65.89 ± 0.04°
• Cell volume: 3043 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.166
• Residual factor for significantly intense reflections: 0.1121
• Weighted residual factors for all reflections: 0.3913
• Weighted residual factors for significantly intense reflections: 0.3197
• Goodness-of-fit parameter for all reflections: 1.038
• Goodness-of-fit parameter for significantly intense reflections: 1.168
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No