Information card for entry 4112564

Structure parameters

• Formula: C15 H30 Li3 N3 O6
• Calculated formula: C16.75 H30 Li3 N3 O6
• Title of publication: Characterization of β-Amino Ester Enolates as Hexamers via 6Li NMR Spectroscopy
• Authors of publication: Anne J. McNeil; Gilman E. S. Toombes; Sithamalli V. Chandramouli; Benoit J. Vanasse; Timothy A. Ayers; Michael K. O'Brien; Emil Lobkovsky; Sol M. Gruner; John A. Marohn; David B. Collum
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2004
• Journal volume: 126
• Pages of publication: 5938 - 5939
• a: 13.423 ± 0.011 Å
• b: 13.495 ± 0.012 Å
• c: 13.817 ± 0.012 Å
• α: 91.83 ± 0.03°
• β: 104.6 ± 0.02°
• γ: 111.29 ± 0.03°
• Cell volume: 2235 ± 3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.1275
• Residual factor for significantly intense reflections: 0.0665
• Weighted residual factors for significantly intense reflections: 0.1502
• Weighted residual factors for all reflections included in the refinement: 0.1793
• Goodness-of-fit parameter for all reflections included in the refinement: 0.949
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No