Information card for entry 7125707

Structure parameters

• Formula: C22 H22 N2 O4
• Calculated formula: C22 H22 N2 O4
• Title of publication: Facile access to versatile aza-macrolides through iridium-catalysed cascade allyl-amination/macrolactonization.
• Authors of publication: Fu, Wei; Wang, Lianhui; Yang, Zi; Shen, Jiang-Shan; Tang, Fei; Zhang, Jiayi; Cui, Xiuling
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 6
• Pages of publication: 960 - 963
• a: 14.5996 ± 0.001 Å
• b: 8.1161 ± 0.0005 Å
• c: 16.4481 ± 0.0014 Å
• α: 90°
• β: 99.915 ± 0.007°
• γ: 90°
• Cell volume: 1919.9 ± 0.2 ų
• Cell temperature: 293.1 ± 0.2 K
• Ambient diffraction temperature: 293.1 ± 0.2 K
• Number of distinct elements: 4
• 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: 0.1374
• Residual factor for significantly intense reflections: 0.0564
• Weighted residual factors for significantly intense reflections: 0.1107
• Weighted residual factors for all reflections included in the refinement: 0.1421
• Goodness-of-fit parameter for all reflections included in the refinement: 0.992
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No