Information card for entry 1557968

Structure parameters

• Formula: C30 H36 Li2 N6 O2
• Calculated formula: C30 H36 Li2 N6 O2
• 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: 9.7406 ± 0.0004 Å
• b: 10.9189 ± 0.0004 Å
• c: 14.1465 ± 0.0007 Å
• α: 90°
• β: 107.012 ± 0.005°
• γ: 90°
• Cell volume: 1438.74 ± 0.11 ų
• Cell temperature: 123.35 ± 0.1 K
• Ambient diffraction temperature: 123.35 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.072
• Residual factor for significantly intense reflections: 0.0591
• Weighted residual factors for significantly intense reflections: 0.1634
• Weighted residual factors for all reflections included in the refinement: 0.183
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No