Information card for entry 7103737

Structure parameters

• Formula: C31 H48.5 Li N O4
• Calculated formula: C31 H48.5 Li N O4
• Title of publication: Variations in the solid-state, solution and theoretical structures of a laterally deprotonated aromatic tertiary amide
• Authors of publication: Andrew Wheatley; David R. Armstrong; Jonathan Clayden; Robert Haigh; David J. Linton; Paul Schooler
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2003
• a: 9.9696 ± 0.0004 Å
• b: 18.6529 ± 0.0008 Å
• c: 16.5704 ± 0.0005 Å
• α: 90°
• β: 92.384 ± 0.002°
• γ: 90°
• Cell volume: 3078.8 ± 0.2 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 5
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 n 1
• Hall space group symbol: P -2yac
• Residual factor for all reflections: 0.0872
• Residual factor for significantly intense reflections: 0.0713
• Weighted residual factors for significantly intense reflections: 0.1848
• Weighted residual factors for all reflections included in the refinement: 0.2004
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No