Information card for entry 7011915

Structure parameters

• Formula: C9 H20 Li N3
• Calculated formula: C9 H20 Li 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: 12.288 ± 0.001 Å
• b: 12.288 ± 0.001 Å
• c: 14.407 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2175.4 ± 0.4 ų
• Cell temperature: 169.2 K
• Ambient diffraction temperature: 169.2 K
• Number of distinct elements: 4
• Space group number: 114
• Hermann-Mauguin space group symbol: P -4 21 c
• Hall space group symbol: P -4 2n
• Residual factor for all reflections: 0.0825
• Residual factor for significantly intense reflections: 0.0373
• Weighted residual factors for all reflections: 0.0411
• Weighted residual factors for significantly intense reflections: 0.0349
• Weighted residual factors for all reflections included in the refinement: 0.0349
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No