Information card for entry 7011917

Structure parameters

• Formula: C16 H28 Li N3
• Calculated formula: C16 H28 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: 17.075 ± 0.004 Å
• b: 12.258 ± 0.003 Å
• c: 16.533 ± 0.004 Å
• α: 90°
• β: 105.077 ± 0.004°
• γ: 90°
• Cell volume: 3341.3 ± 1.4 ų
• Cell temperature: 273.2 K
• Ambient diffraction temperature: 273.2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.2031
• Residual factor for significantly intense reflections: 0.0686
• Weighted residual factors for all reflections: 0.1562
• Weighted residual factors for significantly intense reflections: 0.0899
• Weighted residual factors for all reflections included in the refinement: 0.0899
• Goodness-of-fit parameter for all reflections included in the refinement: 1.336
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No