Information card for entry 7011916

Structure parameters

• Formula: C13 H29 Li2 N3
• Calculated formula: C13 H27 Li2 N3
• Title of publication: Reactions of N,N???,N???-trimethyl-1,4,7-triazacyclononane with butyllithium reagents
• Authors of publication: Arnold, John; Knapp, Volker; Schmidt, Joseph A. R.; Shafir, Alexandr
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2002
• Journal issue: 17
• Pages of publication: 3273
• a: 18.785 ± 0.004 Å
• b: 14.607 ± 0.003 Å
• c: 23.964 ± 0.005 Å
• α: 90 ± 0.001°
• β: 90 ± 0.001°
• γ: 90 ± 0.001°
• Cell volume: 6576 ± 2 ų
• Cell temperature: 121.2 K
• Ambient diffraction temperature: 121.2 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: 0.2444
• Residual factor for significantly intense reflections: 0.1418
• Weighted residual factors for all reflections: 0.1948
• Weighted residual factors for significantly intense reflections: 0.1697
• Weighted residual factors for all reflections included in the refinement: 0.1697
• Goodness-of-fit parameter for all reflections included in the refinement: 3.653
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No