Information card for entry 1557967

Structure parameters

• Formula: C32 H52 Li2 N2 O4
• Calculated formula: C32 H52 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: 9.0773 ± 0.0003 Å
• b: 20.9604 ± 0.0006 Å
• c: 9.2929 ± 0.0004 Å
• α: 90°
• β: 112.088 ± 0.004°
• γ: 90°
• Cell volume: 1638.34 ± 0.11 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• 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: 0.117
• Residual factor for significantly intense reflections: 0.1047
• Weighted residual factors for significantly intense reflections: 0.3328
• Weighted residual factors for all reflections included in the refinement: 0.3569
• Goodness-of-fit parameter for all reflections included in the refinement: 1.539
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No