Information card for entry 1557969

Structure parameters

• Formula: C44 H60 Li2 N2 O4
• Calculated formula: C44 H59.145 Li2 N2 O4
• Title of publication: Ultrafast amidation of esters using lithium amides under aerobic ambient temperature conditions in sustainable solvents.
• Authors of publication: Fairley, Michael; Bole, Leonie J.; Mulks, Florian F.; Main, Laura; Kennedy, Alan R.; O'Hara, Charles T; García-Alvarez, Joaquín; Hevia, Eva
• Journal of publication: Chemical science
• Year of publication: 2020
• Journal volume: 11
• Journal issue: 25
• Pages of publication: 6500 - 6509
• a: 10.2268 ± 0.0004 Å
• b: 19.0435 ± 0.0007 Å
• c: 10.7658 ± 0.0005 Å
• α: 90°
• β: 102.453 ± 0.004°
• γ: 90°
• Cell volume: 2047.36 ± 0.15 ų
• Cell temperature: 123.35 ± 0.1 K
• Ambient diffraction temperature: 123.35 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.108
• Residual factor for significantly intense reflections: 0.0987
• Weighted residual factors for significantly intense reflections: 0.2735
• Weighted residual factors for all reflections included in the refinement: 0.2948
• Goodness-of-fit parameter for all reflections included in the refinement: 1.225
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No